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

C18H28N2O3S — CID 108561858

IUPACN-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-15-24(22,23)20-13-11-17(12-14-20)19-18(21)10-9-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,19,21)
InChIKeyRIRLTLQZKGCQKK-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.33
Rot. Bonds8

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

N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 108561858) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID108561858
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-15-24(22,23)20-13-11-17(12-14-20)19-18(21)10-9-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,19,21)
InChIKeyRIRLTLQZKGCQKK-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide (CID 108561858) is N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide is CCCCS(=O)(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is RIRLTLQZKGCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-15-24(22,23)20-13-11-17(12-14-20)19-18(21)10-9-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3,(H,19,21).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 352.50 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 108561858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).