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

C25H31N3O4S — CID 20880553

IUPAC1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C25H31N3O4S/c1-2-21(16-18-6-4-3-5-7-18)26-25(30)19-12-14-28(15-13-19)33(31,32)22-9-10-23-20(17-22)8-11-24(29)27-23/h3-7,9-10,17,19,21H,2,8,11-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyDVMNPNDPYMKDNK-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.11
Rot. Bonds7

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

1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 20880553) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide
PubChem CID20880553
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C25H31N3O4S/c1-2-21(16-18-6-4-3-5-7-18)26-25(30)19-12-14-28(15-13-19)33(31,32)22-9-10-23-20(17-22)8-11-24(29)27-23/h3-7,9-10,17,19,21H,2,8,11-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyDVMNPNDPYMKDNK-UHFFFAOYSA-N
XLogP3.11
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-(4-benzoylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 55488624
N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
N-cyclohexyl-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53298194
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46282208
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
7-(4-benzylpiperazin-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 46282041
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3-phenylpropanamide
CID 20865831
(3R)-N-benzyl-N-ethyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723457
N-pentan-3-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 9113986

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide (CID 20880553) is 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide is CCC(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is DVMNPNDPYMKDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-2-21(16-18-6-4-3-5-7-18)26-25(30)19-12-14-28(15-13-19)33(31,32)22-9-10-23-20(17-22)8-11-24(29)27-23/h3-7,9-10,17,19,21H,2,8,11-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide?
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).