1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide

C21H29N3O2 — CID 97192699

IUPAC1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide
SMILESO=C1C[C@H](NC(=O)C2CCN(C3CCCCC3)CC2)c2ccccc2N1
InChIInChI=1S/C21H29N3O2/c25-20-14-19(17-8-4-5-9-18(17)22-20)23-21(26)15-10-12-24(13-11-15)16-6-2-1-3-7-16/h4-5,8-9,15-16,19H,1-3,6-7,10-14H2,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyGISYPKPIPHBSRZ-IBGZPJMESA-N
MW355.48 g/mol
LogP3.23
Rot. Bonds3

About 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide

1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide (PubChem CID 97192699) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide
PubChem CID97192699
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide
SMILESO=C1C[C@H](NC(=O)C2CCN(C3CCCCC3)CC2)c2ccccc2N1
InChIInChI=1S/C21H29N3O2/c25-20-14-19(17-8-4-5-9-18(17)22-20)23-21(26)15-10-12-24(13-11-15)16-6-2-1-3-7-16/h4-5,8-9,15-16,19H,1-3,6-7,10-14H2,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyGISYPKPIPHBSRZ-IBGZPJMESA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
CID 126449547
N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
CID 110462006
2-oxo-N-(4-piperidin-1-ylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17494934
1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119135688
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134700379
4-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229415
2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119453472
(4R)-N-cyclohexyl-N-cyclopropyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94052592
1-(1-cyclohexylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 26411415
N-(2-aminoethyl)-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481836
N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-3-phenyltriazole-4-carboxamide
CID 95146948
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide (CID 97192699) is 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide is O=C1C[C@H](NC(=O)C2CCN(C3CCCCC3)CC2)c2ccccc2N1.
What is the InChIKey of 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide?
The InChIKey is GISYPKPIPHBSRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-14-19(17-8-4-5-9-18(17)22-20)23-21(26)15-10-12-24(13-11-15)16-6-2-1-3-7-16/h4-5,8-9,15-16,19H,1-3,6-7,10-14H2,(H,22,25)(H,23,26)/t19-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide?
1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 97192699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).