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

C18H27ClN2O3S — CID 55767227

IUPAC1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O3S/c1-3-4-12-25(23,24)21-10-8-16(9-11-21)18(22)20(2)14-15-6-5-7-17(19)13-15/h5-7,13,16H,3-4,8-12,14H2,1-2H3
InChIKeyJKCSGKRUPZOMHK-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.14
Rot. Bonds7

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

1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55767227) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID55767227
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H27ClN2O3S/c1-3-4-12-25(23,24)21-10-8-16(9-11-21)18(22)20(2)14-15-6-5-7-17(19)13-15/h5-7,13,16H,3-4,8-12,14H2,1-2H3
InChIKeyJKCSGKRUPZOMHK-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.14
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-(4-tert-butylphenyl)sulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26622257
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
2-[(1-butylsulfonylpiperidine-4-carbonyl)-methylamino]acetic acid
CID 119171791
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28633693
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-[[4-(dimethylamino)phenyl]methyl]-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 36665418
1-butylsulfonyl-N-cyclopropyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 55980735
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
(3R)-N-[(4-chlorophenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92683172

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 55767227) is 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is JKCSGKRUPZOMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-3-4-12-25(23,24)21-10-8-16(9-11-21)18(22)20(2)14-15-6-5-7-17(19)13-15/h5-7,13,16H,3-4,8-12,14H2,1-2H3.
What are the key properties of 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 386.95 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55767227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).