4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide

C14H20N2O3S — CID 47910179

IUPAC4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-5-7-12(8-6-11)14(17)15-13-4-3-9-16(10-13)20(2,18)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyOYHWHKDXTRCZOX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.15
Rot. Bonds3

About 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide

4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide (PubChem CID 47910179) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
PubChem CID47910179
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-5-7-12(8-6-11)14(17)15-13-4-3-9-16(10-13)20(2,18)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyOYHWHKDXTRCZOX-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
5-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119182612
N-cyclobutyl-4-methylbenzamide
CID 23530676
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931
N-cyclooctyl-4-methylbenzamide
CID 3995245
4-(2,5-dimethylphenyl)-N-(1-methylsulfonylpiperidin-3-yl)-4-oxobutanamide
CID 47909955
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide (CID 47910179) is 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide is Cc1ccc(C(=O)NC2CCCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
The InChIKey is OYHWHKDXTRCZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-5-7-12(8-6-11)14(17)15-13-4-3-9-16(10-13)20(2,18)19/h5-8,13H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide?
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide is sourced from PubChem (CID 47910179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).