N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C14H20N2O3S — CID 17453629

IUPACN-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-13(10-11)15-14(17)12-6-8-16(9-7-12)20(2,18)19/h3-5,10,12H,6-9H2,1-2H3,(H,15,17)
InChIKeyNZRIGRORBWHUCF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.61
Rot. Bonds3

About N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17453629) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17453629
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-13(10-11)15-14(17)12-6-8-16(9-7-12)20(2,18)19/h3-5,10,12H,6-9H2,1-2H3,(H,15,17)
InChIKeyNZRIGRORBWHUCF-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
1-(5-ethylthiophen-2-yl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006158
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 17453629) is N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NZRIGRORBWHUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-5-13(10-11)15-14(17)12-6-8-16(9-7-12)20(2,18)19/h3-5,10,12H,6-9H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17453629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).