N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

C21H32N2O3S — CID 2953178

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C21H32N2O3S/c1-27(25,26)23(20-10-6-3-7-11-20)17-21(24)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3
InChIKeyXFLPWLWWLFXSDR-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (PubChem CID 2953178) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
PubChem CID2953178
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C21H32N2O3S/c1-27(25,26)23(20-10-6-3-7-11-20)17-21(24)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3
InChIKeyXFLPWLWWLFXSDR-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide (CID 2953178) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
The InChIKey is XFLPWLWWLFXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-27(25,26)23(20-10-6-3-7-11-20)17-21(24)22-14-12-19(13-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide has a molecular weight of 392.57 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide is sourced from PubChem (CID 2953178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).