N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide

C21H24Cl2N2O3S — CID 92680220

IUPACN-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2O3S/c1-24(14-16-5-7-19(22)8-6-16)21(26)18-9-11-25(12-10-18)29(27,28)15-17-3-2-4-20(23)13-17/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyLYRRNJWUQNZSCG-UHFFFAOYSA-N
MW455.41 g/mol
LogP4.19
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 92680220) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
PubChem CID92680220
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2O3S/c1-24(14-16-5-7-19(22)8-6-16)21(26)18-9-11-25(12-10-18)29(27,28)15-17-3-2-4-20(23)13-17/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyLYRRNJWUQNZSCG-UHFFFAOYSA-N
XLogP4.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 54.19
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-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55767227
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 46763877
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
1-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26622257
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-(3-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642542

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide (CID 92680220) is N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LYRRNJWUQNZSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-24(14-16-5-7-19(22)8-6-16)21(26)18-9-11-25(12-10-18)29(27,28)15-17-3-2-4-20(23)13-17/h2-8,13,18H,9-12,14-15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 92680220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).