N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide

C16H24N2O3S — CID 110715024

IUPACN-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-14(19)18-11-9-16(10-12-18)17-22(20,21)13-5-8-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3
InChIKeyCCWDDSXTKFNZOM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.55
Rot. Bonds6

About N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide

N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide (PubChem CID 110715024) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
PubChem CID110715024
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O3S/c1-14(19)18-11-9-16(10-12-18)17-22(20,21)13-5-8-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3
InChIKeyCCWDDSXTKFNZOM-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-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110345821
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide (CID 110715024) is N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide?
The InChIKey is CCWDDSXTKFNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-14(19)18-11-9-16(10-12-18)17-22(20,21)13-5-8-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-13H2,1H3.
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide?
N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide 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-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110715024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).