N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O4S — CID 893526

IUPACN-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O4S/c1-11-4-5-14(21-2)13(10-11)16-15(18)12-6-8-17(9-7-12)22(3,19)20/h4-5,10,12H,6-9H2,1-3H3,(H,16,18)
InChIKeyNKYLDTDKNDATOP-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.61
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 893526) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID893526
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O4S/c1-11-4-5-14(21-2)13(10-11)16-15(18)12-6-8-17(9-7-12)22(3,19)20/h4-5,10,12H,6-9H2,1-3H3,(H,16,18)
InChIKeyNKYLDTDKNDATOP-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 1088323
N-(2-methoxy-5-methylphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007617
N-(2-methoxy-5-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26414036
N-(2-methoxy-5-methylphenyl)-1-methylsulfonyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199802
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53076020
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 893526) is N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NKYLDTDKNDATOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-4-5-14(21-2)13(10-11)16-15(18)12-6-8-17(9-7-12)22(3,19)20/h4-5,10,12H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 893526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).