N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C21H26N2O3S — CID 43043853

IUPACN-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)C2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-10-12-20(13-11-17)23(15-18-7-4-3-5-8-18)21(24)19-9-6-14-22(16-19)27(2,25)26/h3-5,7-8,10-13,19H,6,9,14-16H2,1-2H3
InChIKeyDPCFZUPJQKFVNL-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.20
Rot. Bonds5

About N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 43043853) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID43043853
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)C2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-10-12-20(13-11-17)23(15-18-7-4-3-5-8-18)21(24)19-9-6-14-22(16-19)27(2,25)26/h3-5,7-8,10-13,19H,6,9,14-16H2,1-2H3
InChIKeyDPCFZUPJQKFVNL-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
(3R)-N-benzyl-N-(cyanomethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 94537667
N-benzyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616248
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
CID 3013680
(3R)-N,N-dibenzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780190
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863487
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 43043853) is N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide is Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is DPCFZUPJQKFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-10-12-20(13-11-17)23(15-18-7-4-3-5-8-18)21(24)19-9-6-14-22(16-19)27(2,25)26/h3-5,7-8,10-13,19H,6,9,14-16H2,1-2H3.
What are the key properties of N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43043853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).