(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide

C21H24N2O2S — CID 25401110

IUPAC(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCSCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O2S/c1-26-15-16-9-11-17(12-10-16)21(25)23-13-5-6-18(14-23)20(24)22-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyVAEQBGDQLZNRCI-SFHVURJKSA-N
MW368.50 g/mol
LogP4.04
Rot. Bonds5

About (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide

(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 25401110) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID25401110
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCSCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O2S/c1-26-15-16-9-11-17(12-10-16)21(25)23-13-5-6-18(14-23)20(24)22-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyVAEQBGDQLZNRCI-SFHVURJKSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
N-phenyl-1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 24615839
1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122079098
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 27745975
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
CID 46662394
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide (CID 25401110) is (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide is CSCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is VAEQBGDQLZNRCI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-26-15-16-9-11-17(12-10-16)21(25)23-13-5-6-18(14-23)20(24)22-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 25401110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).