N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C14H20N2O4S — CID 2986825

IUPACN-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17)
InChIKeyRJORJQNOFZRFEA-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds4

About N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2986825) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2986825
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17)
InChIKeyRJORJQNOFZRFEA-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
N-(2-ethoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991696
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 6464057
1-(Butyl sulfonyl)-N-(4-isopropoxyphenyl)piperidine-3-carboxamide
CID 45482503
2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 645309
2-[benzyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 838544
N-(3-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 973150
N-(2-ethylphenyl)-2-[(3-methoxyphenyl)(methylsulfonyl)amino]acetamide
CID 1095124
N~2~-(3-methoxyphenyl)-N~1~-{3-[methyl(methylsulfonyl)amino]phenyl}-N~2~-(methylsulfonyl)glycinamide
CID 1319182
Cambridge id 6229282
CID 2891284
N-(3,4-Dimethoxyphenyl)-1-(methylsulfonyl)-3-piperidinecarboxamide
CID 4776833

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 2986825) is N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is COc1cccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is RJORJQNOFZRFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-7-3-6-12(9-13)15-14(17)11-5-4-8-16(10-11)21(2,18)19/h3,6-7,9,11H,4-5,8,10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2986825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).