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

C16H24N2O3S — CID 3239183

IUPAC1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19)
InChIKeyKSJGGQGWRRMKLW-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.41
Rot. Bonds6

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

1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 3239183) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID3239183
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19)
InChIKeyKSJGGQGWRRMKLW-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.41
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-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 3239183) is 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KSJGGQGWRRMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-9-15(10-13-18)16(19)17-11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19).
What are the key properties of 1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.41, 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-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3239183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).