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

C15H22N2O3S — CID 774765

IUPAC1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)17-11-8-14(9-12-17)15(18)16-10-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
InChIKeyXWWYEYCUHXAZJC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.02
Rot. Bonds5

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

1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 774765) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID774765
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)17-11-8-14(9-12-17)15(18)16-10-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
InChIKeyXWWYEYCUHXAZJC-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N~1~-butyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2236744
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 717229
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
2-methyl-N-(2-phenylethyl)butanamide
CID 2905151
3-Methyl-n-(2-phenylethyl)butanamide
CID 3551002
(4-Benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1082618
N-[2-(4-Ethyl-piperazin-1-yl)-2-oxo-ethyl]-N-phenethyl-methanesulfonamide
CID 1093324

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 774765) is 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is XWWYEYCUHXAZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)17-11-8-14(9-12-17)15(18)16-10-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18).
What are the key properties of 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 774765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).