(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide

C21H24N2O2S — CID 42363244

IUPAC(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c1-26-19-12-6-5-11-18(19)20(24)17-10-7-13-23(15-17)21(25)22-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyUVNMNOPFBUHIMV-KRWDZBQOSA-N
MW368.50 g/mol
LogP4.21
Rot. Bonds5

About (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide

(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide (PubChem CID 42363244) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
PubChem CID42363244
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
SMILESCSc1ccccc1C(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C21H24N2O2S/c1-26-19-12-6-5-11-18(19)20(24)17-10-7-13-23(15-17)21(25)22-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyUVNMNOPFBUHIMV-KRWDZBQOSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide
CID 45183967
(3S)-3-(2-methylsulfanylbenzoyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 25291677
N-benzylazonane-1-carboxamide
CID 130689649
cycloheptyl-(2-methylsulfanylphenyl)methanone
CID 115794815
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 25368531
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
3-(4-methoxyphenyl)-1-[3-(2-methylsulfanylbenzoyl)piperidin-1-yl]propan-1-one
CID 45167786
1-N-benzyl-3-N-(cyclohexylmethyl)piperidine-1,3-dicarboxamide
CID 43815765
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95709749
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide (CID 42363244) is (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide is CSc1ccccc1C(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide?
The InChIKey is UVNMNOPFBUHIMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-26-19-12-6-5-11-18(19)20(24)17-10-7-13-23(15-17)21(25)22-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide?
(3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(2-methylsulfanylbenzoyl)piperidine-1-carboxamide is sourced from PubChem (CID 42363244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).