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

C24H27FN2O2S — CID 32559066

IUPACN-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN2O2S/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)
InChIKeyJLBWEKYPCICYMU-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.35
Rot. Bonds5

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

N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 32559066) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID32559066
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN2O2S/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)
InChIKeyJLBWEKYPCICYMU-UHFFFAOYSA-N
XLogP5.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 32559647
N-(2-cyclopentylsulfanylphenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 32559552
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
1-(4-fluorobenzoyl)-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 17224013
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 24514557
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
4-benzoyl-N-(2-cyclopentylsulfanylphenyl)-1,4-diazepane-1-carboxamide
CID 112825876
N-(2-cyclopentylsulfanylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 32558972
1-(4-fluorobenzoyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-3-carboxamide
CID 24535111
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 32559066) is N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is JLBWEKYPCICYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2S/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 N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32559066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).