N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide

C18H28N2O3S — CID 112995484

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-13-24(22,23)19-15-18(21)20-11-9-17(10-12-20)14-16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3
InChIKeyKHXSJGRIMSZONK-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.19
Rot. Bonds8

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide (PubChem CID 112995484) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
PubChem CID112995484
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-2-3-13-24(22,23)19-15-18(21)20-11-9-17(10-12-20)14-16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3
InChIKeyKHXSJGRIMSZONK-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]propane-1-sulfonamide
CID 112995483
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]butane-1-sulfonamide
CID 112991956
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide
CID 126148662
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111749873
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
ethyl (2S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoate
CID 97260919

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide (CID 112995484) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide?
The InChIKey is KHXSJGRIMSZONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-13-24(22,23)19-15-18(21)20-11-9-17(10-12-20)14-16-7-5-4-6-8-16/h4-8,17,19H,2-3,9-15H2,1H3.
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]butane-1-sulfonamide is sourced from PubChem (CID 112995484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).