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CX5 : Summary
Code
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CX5
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One-letter code
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X
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Molecule name
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piperidin-1-yl(quinoxalin-6-yl)methanone
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Systematic names
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Formula
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C14 H15 N3 O
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Formal charge
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0
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Molecular weight
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241.288 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C(c2cc1nccnc1cc2)N3CCCCC3 |
SMILES
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CACTVS |
3.370 |
O=C(N1CCCCC1)c2ccc3nccnc3c2 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(cc1C(=O)N3CCCCC3)nccn2 |
Canonical SMILES
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CACTVS |
3.370 |
O=C(N1CCCCC1)c2ccc3nccnc3c2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1cc2c(cc1C(=O)N3CCCCC3)nccn2 |
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IUPAC InChI | InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2 |
IUPAC InChI key | ANDGGVOPIJEHOF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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33 (18 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2013-02-01
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Last modified at
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2013-10-04
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Status
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Released
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Obsoleted
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Not Assigned
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