N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide

C16H24N2O3S — CID 33220250

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-10-15(11-13-18)17-16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19)
InChIKeyPFXJGMQAPMCHCN-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds6

About N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide

N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 33220250) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID33220250
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-10-15(11-13-18)17-16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19)
InChIKeyPFXJGMQAPMCHCN-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
1-(1-ethylsulfonylpiperidin-4-yl)-3-(4-phenylbutyl)urea
CID 36520658
1-benzyl-3-(1-ethylsulfonylpiperidin-4-yl)urea
CID 32525222
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide (CID 33220250) is N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide is CCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is PFXJGMQAPMCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-22(20,21)18-12-10-15(11-13-18)17-16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,17,19).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 33220250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).