N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide

C16H22N2O4S — CID 51078226

IUPACN-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-17-15(19)14-8-3-4-9-18(14)16(20)13-7-5-6-12(10-13)11-23(2,21)22/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyDXJSFTDSIXSDTH-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.97
Rot. Bonds4

About N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide

N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide (PubChem CID 51078226) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide
PubChem CID51078226
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-17-15(19)14-8-3-4-9-18(14)16(20)13-7-5-6-12(10-13)11-23(2,21)22/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,17,19)
InChIKeyDXJSFTDSIXSDTH-UHFFFAOYSA-N
XLogP0.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)pyrrolidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 75870311
1-[(3-aminophenyl)methylsulfonyl]-N-methylpiperidine-2-carboxamide
CID 61112035
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
1-(1H-indole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63716587
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50816049
1-[4-(methylsulfonylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 43239530
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 51098117
[3-(methylsulfonylmethyl)phenyl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627905

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide (CID 51078226) is N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide?
The InChIKey is DXJSFTDSIXSDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-17-15(19)14-8-3-4-9-18(14)16(20)13-7-5-6-12(10-13)11-23(2,21)22/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide?
N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(methylsulfonylmethyl)benzoyl]piperidine-2-carboxamide is sourced from PubChem (CID 51078226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).