1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

C15H22N2O5S — CID 6490713

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C15H22N2O5S/c1-16-15(18)11-5-4-8-17(10-11)23(19,20)12-6-7-13(21-2)14(9-12)22-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyDDZKCTBHXHVAJS-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.85
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (PubChem CID 6490713) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
PubChem CID6490713
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C15H22N2O5S/c1-16-15(18)11-5-4-8-17(10-11)23(19,20)12-6-7-13(21-2)14(9-12)22-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyDDZKCTBHXHVAJS-UHFFFAOYSA-N
XLogP0.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
1-(3,4-dimethoxyphenyl)sulfonyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69259003
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 7453410
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 4038087
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 5201160
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457802
(3S)-N-(2,6-diethylphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40975789
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404720

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide (CID 6490713) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
The InChIKey is DDZKCTBHXHVAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-16-15(18)11-5-4-8-17(10-11)23(19,20)12-6-7-13(21-2)14(9-12)22-3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 6490713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).