1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile

C16H15N3O2 — CID 47086841

IUPAC1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C16H15N3O2/c17-10-11-5-7-19(8-6-11)16(21)13-9-15(20)18-14-4-2-1-3-12(13)14/h1-4,9,11H,5-8H2,(H,18,20)
InChIKeyZIWFROHIEFFTIX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.90
Rot. Bonds1

About 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile

1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile (PubChem CID 47086841) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
PubChem CID47086841
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C16H15N3O2/c17-10-11-5-7-19(8-6-11)16(21)13-9-15(20)18-14-4-2-1-3-12(13)14/h1-4,9,11H,5-8H2,(H,18,20)
InChIKeyZIWFROHIEFFTIX-UHFFFAOYSA-N
XLogP1.90
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 120814628
1-(2-oxo-1H-quinoline-4-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 71893089
4-(4-ethylpiperazin-4-ium-1-carbonyl)-1H-quinolin-2-one
CID 2394404
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
1-(2-acetylbenzoyl)piperidine-4-carbonitrile
CID 91781325
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 2102546
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile (CID 47086841) is 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile?
The InChIKey is ZIWFROHIEFFTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-10-11-5-7-19(8-6-11)16(21)13-9-15(20)18-14-4-2-1-3-12(13)14/h1-4,9,11H,5-8H2,(H,18,20).
What are the key properties of 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile?
1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile has a molecular weight of 281.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 47086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).