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

C15H22N2O3S — CID 3242642

IUPACN-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-5-7-13(8-6-12)10-16-15(18)14-4-3-9-17(11-14)21(2,19)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyMDPFODKLLZCWFT-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.28
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3242642) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3242642
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12-5-7-13(8-6-12)10-16-15(18)14-4-3-9-17(11-14)21(2,19)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyMDPFODKLLZCWFT-UHFFFAOYSA-N
XLogP1.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2978458
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2234236
(3S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118696
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 28550165
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945290
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
(3R)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562311
(3S)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562313

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 3242642) is N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is MDPFODKLLZCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-5-7-13(8-6-12)10-16-15(18)14-4-3-9-17(11-14)21(2,19)20/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3242642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).