3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide

C24H30N2O4S — CID 55965713

IUPAC3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4S/c1-2-18-31(29,30)22-11-7-6-10-21(22)24(28)26-16-14-20(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,25,27)
InChIKeyLEJOLGPXYKHBER-UHFFFAOYSA-N
MW442.58 g/mol
LogP3.22
Rot. Bonds8

About 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide

3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide (PubChem CID 55965713) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
PubChem CID55965713
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4S/c1-2-18-31(29,30)22-11-7-6-10-21(22)24(28)26-16-14-20(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,25,27)
InChIKeyLEJOLGPXYKHBER-UHFFFAOYSA-N
XLogP3.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
[4-(aminomethyl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 119423695
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 86982540
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 124613094
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987
N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 55706392

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide (CID 55965713) is 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide is CCCS(=O)(=O)c1ccccc1C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide?
The InChIKey is LEJOLGPXYKHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-2-18-31(29,30)22-11-7-6-10-21(22)24(28)26-16-14-20(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,25,27).
What are the key properties of 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide?
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide has a molecular weight of 442.58 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 55965713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).