3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

C15H23N3O3S — CID 51079173

IUPAC3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(NS(C)(=O)=O)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-12-5-7-13(8-6-12)10-16-15(19)18-9-3-4-14(11-18)17-22(2,20)21/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,19)
InChIKeyYNEXNPAEOBKZGB-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.22
Rot. Bonds4

About 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 51079173) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID51079173
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCC(NS(C)(=O)=O)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-12-5-7-13(8-6-12)10-16-15(19)18-9-3-4-14(11-18)17-22(2,20)21/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,19)
InChIKeyYNEXNPAEOBKZGB-UHFFFAOYSA-N
XLogP1.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
CID 5076486
N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 963779
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-(1-benzylpiperidin-4-yl)methanesulfonamide
CID 669036
N-[1-(4-isopropenylphenyl)-1-methylethyl]-4-methyl-1-piperazinecarboxamide
CID 657479
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-methylbenzyl)acetamide
CID 848396
4-methyl-N-(4-methylbenzyl)-1-piperazinecarboxamide
CID 851971

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (CID 51079173) is 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCC(NS(C)(=O)=O)C2)cc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is YNEXNPAEOBKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-5-7-13(8-6-12)10-16-15(19)18-9-3-4-14(11-18)17-22(2,20)21/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,19).
What are the key properties of 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 51079173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).