N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide

C17H26N2O3S — CID 3245166

IUPACN-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-14-23(21,22)19-12-9-16(10-13-19)17(20)18-11-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,18,20)
InChIKeyPKGBEUOBSWHXAI-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds7

About N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3245166) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3245166
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-2-14-23(21,22)19-12-9-16(10-13-19)17(20)18-11-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,18,20)
InChIKeyPKGBEUOBSWHXAI-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 3245166) is N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is PKGBEUOBSWHXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-14-23(21,22)19-12-9-16(10-13-19)17(20)18-11-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,18,20).
What are the key properties of N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).