Chemical Components in the PDB

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FI9 : Summary

Code

FI9

One-letter code

X

Molecule name

5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one

Formula

C11 H15 N3 O2

Formal charge

0

Molecular weight

221.256 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2
SMILES OpenEye OEToolkits 2.0.7 C1CN(CCC1N)C(=O)C2=CNC(=O)C=C2
Canonical SMILES CACTVS 3.385 NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CN(CCC1N)C(=O)C2=CNC(=O)C=C2

IUPAC InChI

InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15)

IUPAC InChI key

PBJCAAQZCVURJN-UHFFFAOYSA-N
FI9

wwPDB Information

Atom count

31 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-01-24

Last modified at

2022-09-23

Status

Released

Obsoleted

Not Assigned