1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile

C12H13N3O2 — CID 114040125

IUPAC1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H13N3O2/c13-7-9-3-2-6-15(8-9)12(17)10-4-1-5-11(16)14-10/h1,4-5,9H,2-3,6,8H2,(H,14,16)
InChIKeyKDEHFQPGTALRSQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.75
Rot. Bonds1

About 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile

1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile (PubChem CID 114040125) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
PubChem CID114040125
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)c2cccc(=O)[nH]2)C1
InChIInChI=1S/C12H13N3O2/c13-7-9-3-2-6-15(8-9)12(17)10-4-1-5-11(16)14-10/h1,4-5,9H,2-3,6,8H2,(H,14,16)
InChIKeyKDEHFQPGTALRSQ-UHFFFAOYSA-N
XLogP0.75
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
CID 82829465
(3S)-1-(2,6-dimethyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carbonitrile
CID 126454483
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040424
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
6-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129346944
1-[4-(4-methyl-2-oxo-1H-quinolin-6-yl)benzoyl]piperidine-3-carbonitrile
CID 122558993
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 114040378
1-[6-oxo-2-(phenylsulfanylmethyl)-1H-pyrimidine-5-carbonyl]piperidine-3-carbonitrile
CID 72912094
2-[1-(6-oxo-1H-pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 107261816

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile (CID 114040125) is 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile is N#CC1CCCN(C(=O)c2cccc(=O)[nH]2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile?
The InChIKey is KDEHFQPGTALRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-7-9-3-2-6-15(8-9)12(17)10-4-1-5-11(16)14-10/h1,4-5,9H,2-3,6,8H2,(H,14,16).
What are the key properties of 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile?
1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile is sourced from PubChem (CID 114040125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).