4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide

C19H22N2O4S — CID 90589407

IUPAC4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O4S/c1-25-16-7-5-6-15(14-16)20-19(22)21-12-10-18(11-13-21)26(23,24)17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,20,22)
InChIKeyQGACZJMYYHOYAF-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.17
Rot. Bonds4

About 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide

4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 90589407) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID90589407
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C19H22N2O4S/c1-25-16-7-5-6-15(14-16)20-19(22)21-12-10-18(11-13-21)26(23,24)17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,20,22)
InChIKeyQGACZJMYYHOYAF-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate
CID 24731892
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 90589407) is 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is QGACZJMYYHOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-16-7-5-6-15(14-16)20-19(22)21-12-10-18(11-13-21)26(23,24)17-8-3-2-4-9-17/h2-9,14,18H,10-13H2,1H3,(H,20,22).
What are the key properties of 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide?
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90589407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).