2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile

C12H15N3O — CID 84682804

IUPAC2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccn(CC2CCNCC2)c1=O
InChIInChI=1S/C12H15N3O/c13-8-11-2-1-7-15(12(11)16)9-10-3-5-14-6-4-10/h1-2,7,10,14H,3-6,9H2
InChIKeyAOXGKYQHBSIPIR-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.72
Rot. Bonds2

About 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile

2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile (PubChem CID 84682804) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
PubChem CID84682804
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile
SMILESN#Cc1cccn(CC2CCNCC2)c1=O
InChIInChI=1S/C12H15N3O/c13-8-11-2-1-7-15(12(11)16)9-10-3-5-14-6-4-10/h1-2,7,10,14H,3-6,9H2
InChIKeyAOXGKYQHBSIPIR-UHFFFAOYSA-N
XLogP0.72
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CID 44410571
1-(piperidin-3-ylmethyl)pyridin-2(1H)-one
CID 44410533
4-Fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
5-Fluoro-1-[(piperidin-4-yl)methyl]-1,2-dihydropyridin-2-one
CID 82147180
4-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103765929
1-[(Piperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 168030382
1-(3-Methylbutyl)-2-oxo-4-piperidin-4-ylpyridine-3-carbonitrile
CID 59391419
3-Methyl-1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CID 63172200
3-[(4-ethylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 89965333
1,2-Dihydropyridin-3-yl-(4-methylpiperidin-1-yl)methanone
CID 124142705
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 29843049
1-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2-oxopyridine-4-carboxamide
CID 37678293

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile (CID 84682804) is 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile is N#Cc1cccn(CC2CCNCC2)c1=O.
What is the InChIKey of 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
The InChIKey is AOXGKYQHBSIPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-11-2-1-7-15(12(11)16)9-10-3-5-14-6-4-10/h1-2,7,10,14H,3-6,9H2.
What are the key properties of 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile?
2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(piperidin-4-ylmethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 84682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).