N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide

C18H28N2O3S — CID 108566076

IUPACN-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-15-24(22,23)19-17-11-13-20(14-12-17)18(21)10-9-16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3
InChIKeyUAAQCBIOPDDBKD-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.33
Rot. Bonds8

About N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide

N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108566076) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
PubChem CID108566076
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-15-24(22,23)19-17-11-13-20(14-12-17)18(21)10-9-16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3
InChIKeyUAAQCBIOPDDBKD-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-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
CID 110715024
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
CID 110819188
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963
2,5-dimethyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566075
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide (CID 108566076) is N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is UAAQCBIOPDDBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-15-24(22,23)19-17-11-13-20(14-12-17)18(21)10-9-16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3.
What are the key properties of N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide?
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide 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-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108566076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).