N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide

C21H23Cl3N2O3S — CID 92679094

IUPACN-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H23Cl3N2O3S/c1-25(13-15-5-7-17(22)8-6-15)21(27)16-9-11-26(12-10-16)30(28,29)14-18-19(23)3-2-4-20(18)24/h2-8,16H,9-14H2,1H3
InChIKeyNPDBZBACBYBZMR-UHFFFAOYSA-N
MW489.85 g/mol
LogP4.85
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 92679094) has the molecular formula C21H23Cl3N2O3S and a molecular weight of 489.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
PubChem CID92679094
Molecular FormulaC21H23Cl3N2O3S
Molecular Weight489.85 g/mol
Exact Mass488.05
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H23Cl3N2O3S/c1-25(13-15-5-7-17(22)8-6-15)21(27)16-9-11-26(12-10-16)30(28,29)14-18-19(23)3-2-4-20(18)24/h2-8,16H,9-14H2,1H3
InChIKeyNPDBZBACBYBZMR-UHFFFAOYSA-N
XLogP4.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.85
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
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-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55767227
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31287206
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 71901894

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide (CID 92679094) is N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is NPDBZBACBYBZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N2O3S/c1-25(13-15-5-7-17(22)8-6-15)21(27)16-9-11-26(12-10-16)30(28,29)14-18-19(23)3-2-4-20(18)24/h2-8,16H,9-14H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 489.85 g/mol, XLogP of 4.85, 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-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 92679094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).