1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

C18H28N2O3S — CID 6473196

IUPAC1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-2-3-14-24(22,23)20-13-7-10-17(15-20)18(21)19-12-11-16-8-5-4-6-9-16/h4-6,8-9,17H,2-3,7,10-15H2,1H3,(H,19,21)
InChIKeyIWJLOGFNYPYNHD-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.19
Rot. Bonds8

About 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 6473196) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID6473196
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C18H28N2O3S/c1-2-3-14-24(22,23)20-13-7-10-17(15-20)18(21)19-12-11-16-8-5-4-6-9-16/h4-6,8-9,17H,2-3,7,10-15H2,1H3,(H,19,21)
InChIKeyIWJLOGFNYPYNHD-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 6473196) is 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is CCCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is IWJLOGFNYPYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-14-24(22,23)20-13-7-10-17(15-20)18(21)19-12-11-16-8-5-4-6-9-16/h4-6,8-9,17H,2-3,7,10-15H2,1H3,(H,19,21).
What are the key properties of 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 6473196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).