N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide

C17H26N2O3S — CID 110736247

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-15(20)19-11-9-17(10-12-19)14-18-23(21,22)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3
InChIKeyHPXHGQQFFNXUNQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.80
Rot. Bonds7

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

N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110736247) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110736247
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCC(=O)N1CCC(CNS(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O3S/c1-15(20)19-11-9-17(10-12-19)14-18-23(21,22)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3
InChIKeyHPXHGQQFFNXUNQ-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
CID 110715024
3-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 110413703
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 71786761
1-(4-benzylpiperidin-1-yl)-2-(3-phenylpropylsulfonyl)ethanone
CID 55466903
2-phenyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 90521151
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112995484
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
1-phenyl-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]methanesulfonamide
CID 121108054
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide
CID 173341187

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110736247) is N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide is CC(=O)N1CCC(CNS(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is HPXHGQQFFNXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15(20)19-11-9-17(10-12-19)14-18-23(21,22)13-5-8-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-14H2,1H3.
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.80, 7 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)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110736247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).