1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

C17H26N2O3S — CID 4055939

IUPAC1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-4-5-16(13-19)17(20)18-11-10-15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyYVUOEAPSGLNESS-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.72
Rot. Bonds6

About 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 4055939) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID4055939
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-4-5-16(13-19)17(20)18-11-10-15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyYVUOEAPSGLNESS-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 4055939) is 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(C)cc2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is YVUOEAPSGLNESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-3-23(21,22)19-12-4-5-16(13-19)17(20)18-11-10-15-8-6-14(2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 4055939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).