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

C27H30N4O4S — CID 46361802

IUPACN-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C27H30N4O4S/c28-18-19-6-8-23(9-7-19)29-26(32)20-12-15-30(16-13-20)36(34,35)24-10-11-25-22(17-24)5-2-14-31(25)27(33)21-3-1-4-21/h6-11,17,20-21H,1-5,12-16H2,(H,29,32)
InChIKeyZCACDNUNFMUPRR-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.68
Rot. Bonds5

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

N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide (PubChem CID 46361802) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
PubChem CID46361802
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC NameN-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C27H30N4O4S/c28-18-19-6-8-23(9-7-19)29-26(32)20-12-15-30(16-13-20)36(34,35)24-10-11-25-22(17-24)5-2-14-31(25)27(33)21-3-1-4-21/h6-11,17,20-21H,1-5,12-16H2,(H,29,32)
InChIKeyZCACDNUNFMUPRR-UHFFFAOYSA-N
XLogP3.68
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-cyclopropylpiperidine-4-carboxamide
CID 46361785
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46361687
N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
1-(4-tert-butylphenyl)sulfonyl-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 26289870
4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzonitrile
CID 17440794
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46361677
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55914561

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide (CID 46361802) is N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide?
The InChIKey is ZCACDNUNFMUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c28-18-19-6-8-23(9-7-19)29-26(32)20-12-15-30(16-13-20)36(34,35)24-10-11-25-22(17-24)5-2-14-31(25)27(33)21-3-1-4-21/h6-11,17,20-21H,1-5,12-16H2,(H,29,32).
What are the key properties of N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide?
N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46361802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).