1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide

C24H27BrN2O2S — CID 32559647

IUPAC1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H27BrN2O2S/c25-19-11-9-18(10-12-19)24(29)27-15-13-17(14-16-27)23(28)26-21-7-3-4-8-22(21)30-20-5-1-2-6-20/h3-4,7-12,17,20H,1-2,5-6,13-16H2,(H,26,28)
InChIKeyXMSLQXYDHKCDOB-UHFFFAOYSA-N
MW487.46 g/mol
LogP5.97
Rot. Bonds5

About 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 32559647) has the molecular formula C24H27BrN2O2S and a molecular weight of 487.46 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID32559647
Molecular FormulaC24H27BrN2O2S
Molecular Weight487.46 g/mol
Exact Mass486.10
IUPAC Name1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H27BrN2O2S/c25-19-11-9-18(10-12-19)24(29)27-15-13-17(14-16-27)23(28)26-21-7-3-4-8-22(21)30-20-5-1-2-6-20/h3-4,7-12,17,20H,1-2,5-6,13-16H2,(H,26,28)
InChIKeyXMSLQXYDHKCDOB-UHFFFAOYSA-N
XLogP5.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 32559066
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 32559552
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
4-benzoyl-N-(2-cyclopentylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 112825876
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791
1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 55762993
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
N-(2-cyclopentylsulfanylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 32559118
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 167853019
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide (CID 32559647) is 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is XMSLQXYDHKCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O2S/c25-19-11-9-18(10-12-19)24(29)27-15-13-17(14-16-27)23(28)26-21-7-3-4-8-22(21)30-20-5-1-2-6-20/h3-4,7-12,17,20H,1-2,5-6,13-16H2,(H,26,28).
What are the key properties of 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 487.46 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 32559647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).