N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

C21H29N3O4S — CID 53298194

IUPACN-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc2N1
InChIInChI=1S/C21H29N3O4S/c25-20-9-6-16-14-18(7-8-19(16)23-20)29(27,28)24-12-10-15(11-13-24)21(26)22-17-4-2-1-3-5-17/h7-8,14-15,17H,1-6,9-13H2,(H,22,26)(H,23,25)
InChIKeyJJXKPSULIHMVMX-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.42
Rot. Bonds4

About N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide

N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 53298194) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID53298194
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESO=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc2N1
InChIInChI=1S/C21H29N3O4S/c25-20-9-6-16-14-18(7-8-19(16)23-20)29(27,28)24-12-10-15(11-13-24)21(26)22-17-4-2-1-3-5-17/h7-8,14-15,17H,1-6,9-13H2,(H,22,26)(H,23,25)
InChIKeyJJXKPSULIHMVMX-UHFFFAOYSA-N
XLogP2.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 46282231
(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723399
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 5209840
N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
6-(4-benzoylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 55488624
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide
CID 20880553
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46282208
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide (CID 53298194) is N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)ccc2N1.
What is the InChIKey of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is JJXKPSULIHMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c25-20-9-6-16-14-18(7-8-19(16)23-20)29(27,28)24-12-10-15(11-13-24)21(26)22-17-4-2-1-3-5-17/h7-8,14-15,17H,1-6,9-13H2,(H,22,26)(H,23,25).
What are the key properties of N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53298194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).