1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C22H27ClN2O3S — CID 99956036

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-17-7-9-18(10-8-17)15-24(2)22(26)19-11-13-25(14-12-19)29(27,28)16-20-5-3-4-6-21(20)23/h3-10,19H,11-16H2,1-2H3
InChIKeyJYWJHJZHYANQGY-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.85
Rot. Bonds6

About 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 99956036) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID99956036
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-17-7-9-18(10-8-17)15-24(2)22(26)19-11-13-25(14-12-19)29(27,28)16-20-5-3-4-6-21(20)23/h3-10,19H,11-16H2,1-2H3
InChIKeyJYWJHJZHYANQGY-UHFFFAOYSA-N
XLogP3.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92679094
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-[(2-fluorophenyl)methylsulfonyl]-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 46771784
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46770473
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27773885
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94012854

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 99956036) is 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JYWJHJZHYANQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-17-7-9-18(10-8-17)15-24(2)22(26)19-11-13-25(14-12-19)29(27,28)16-20-5-3-4-6-21(20)23/h3-10,19H,11-16H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 99956036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).