4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide

C14H21N3O3S — CID 41430122

IUPAC4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-11-4-3-5-13(10-11)15-14(18)17-8-6-12(7-9-17)16-21(2,19)20/h3-5,10,12,16H,6-9H2,1-2H3,(H,15,18)
InChIKeyKMEOTAMMSYHRTR-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.54
Rot. Bonds3

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

4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 41430122) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID41430122
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H21N3O3S/c1-11-4-3-5-13(10-11)15-14(18)17-8-6-12(7-9-17)16-21(2,19)20/h3-5,10,12,16H,6-9H2,1-2H3,(H,15,18)
InChIKeyKMEOTAMMSYHRTR-UHFFFAOYSA-N
XLogP1.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 86982166
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629890

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 41430122) is 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(NS(C)(=O)=O)CC2)c1.
What is the InChIKey of 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is KMEOTAMMSYHRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11-4-3-5-13(10-11)15-14(18)17-8-6-12(7-9-17)16-21(2,19)20/h3-5,10,12,16H,6-9H2,1-2H3,(H,15,18).
What are the key properties of 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide?
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 41430122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).