2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile

C13H15N3O — CID 116837901

IUPAC2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCc2ccncc2)C(=O)C1
InChIInChI=1S/C13H15N3O/c14-10-12-4-8-16(13(17)9-12)7-3-11-1-5-15-6-2-11/h1-2,5-6,12H,3-4,7-9H2
InChIKeyDDIRJUPKHBGWTE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.39
Rot. Bonds3

About 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile

2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile (PubChem CID 116837901) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
PubChem CID116837901
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(CCc2ccncc2)C(=O)C1
InChIInChI=1S/C13H15N3O/c14-10-12-4-8-16(13(17)9-12)7-3-11-1-5-15-6-2-11/h1-2,5-6,12H,3-4,7-9H2
InChIKeyDDIRJUPKHBGWTE-UHFFFAOYSA-N
XLogP1.39
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837872
1-[2-(3,4-dimethylphenyl)ethyl]-2-oxopiperidine-4-carbonitrile
CID 116837870
2-oxo-1-(2-phenoxyethyl)piperidine-4-carbonitrile
CID 116820331
1-(2-pyridin-4-ylethylsulfonyl)piperidine-4-carbonitrile
CID 62734075
1-[(3-bromophenyl)methyl]-2-oxopiperidine-4-carbonitrile
CID 116838048
4-(aminomethyl)-1-(2-phenylethyl)piperidin-2-one
CID 83645468
8-(2-pyridin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740660
1-ethyl-4-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 20641711
1-(2-pyridin-4-ylethyl)piperidine-2,6-dione
CID 86299954
3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
3-methyl-1-(2-pyridin-4-ylethyl)-1,4-diazepan-2-one
CID 63258689
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile?
The IUPAC name of 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile (CID 116837901) is 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile?
The canonical SMILES for 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile is N#CC1CCN(CCc2ccncc2)C(=O)C1.
What is the InChIKey of 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile?
The InChIKey is DDIRJUPKHBGWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-10-12-4-8-16(13(17)9-12)7-3-11-1-5-15-6-2-11/h1-2,5-6,12H,3-4,7-9H2.
What are the key properties of 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile?
2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile has a molecular weight of 229.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-pyridin-4-ylethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 116837901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).