1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide

C19H22N2O4S — CID 2991510

IUPAC1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)21-13-11-15(12-14-21)19(22)20-17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyKHESKKPLAWQBAL-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.09
Rot. Bonds5

About 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 2991510) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID2991510
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)21-13-11-15(12-14-21)19(22)20-17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyKHESKKPLAWQBAL-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51320655
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 24562977
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39909181
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
(2R)-5-methylsulfonyl-N-(2-phenoxyphenyl)-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 38099517
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(5-chloro-2-phenoxyphenyl)piperidine-4-carboxamide
CID 126371819
1-ethylsulfonyl-N-[2-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
CID 55674924

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide (CID 2991510) is 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is KHESKKPLAWQBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)21-13-11-15(12-14-21)19(22)20-17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22).
What are the key properties of 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).