N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide

C16H24N2O3S — CID 17027116

IUPACN-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-3-22(20,21)18-11-9-15(10-12-18)16(19)17(2)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
InChIKeyPCKSQHUCEFJFAR-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.71
Rot. Bonds5

About N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide

N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 17027116) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID17027116
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-3-22(20,21)18-11-9-15(10-12-18)16(19)17(2)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3
InChIKeyPCKSQHUCEFJFAR-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-benzyl-1-(5-bromothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 112760133
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-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
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-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide (CID 17027116) is N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is PCKSQHUCEFJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-22(20,21)18-11-9-15(10-12-18)16(19)17(2)13-14-7-5-4-6-8-14/h4-8,15H,3,9-13H2,1-2H3.
What are the key properties of N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide?
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 17027116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).