1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide

C21H26ClN3O3S — CID 43923883

IUPAC1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
SMILESCN(c1cccc(NC(=O)C2CCCN(Cc3cccc(Cl)c3)C2)c1)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O3S/c1-24(29(2,27)28)20-10-4-9-19(13-20)23-21(26)17-7-5-11-25(15-17)14-16-6-3-8-18(22)12-16/h3-4,6,8-10,12-13,17H,5,7,11,14-15H2,1-2H3,(H,23,26)
InChIKeyMSEHYOQLZCKWQK-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.59
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide (PubChem CID 43923883) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
PubChem CID43923883
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
SMILESCN(c1cccc(NC(=O)C2CCCN(Cc3cccc(Cl)c3)C2)c1)S(C)(=O)=O
InChIInChI=1S/C21H26ClN3O3S/c1-24(29(2,27)28)20-10-4-9-19(13-20)23-21(26)17-7-5-11-25(15-17)14-16-6-3-8-18(22)12-16/h3-4,6,8-10,12-13,17H,5,7,11,14-15H2,1-2H3,(H,23,26)
InChIKeyMSEHYOQLZCKWQK-UHFFFAOYSA-N
XLogP3.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide
CID 46762919
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43933777
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43916583
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673
(3S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125077648
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
1-(4-fluorophenyl)sulfonyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 133168204
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide (CID 43923883) is 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide is CN(c1cccc(NC(=O)C2CCCN(Cc3cccc(Cl)c3)C2)c1)S(C)(=O)=O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The InChIKey is MSEHYOQLZCKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-24(29(2,27)28)20-10-4-9-19(13-20)23-21(26)17-7-5-11-25(15-17)14-16-6-3-8-18(22)12-16/h3-4,6,8-10,12-13,17H,5,7,11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide has a molecular weight of 435.98 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).