3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

C19H28N2O3S — CID 109026321

IUPAC3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H28N2O3S/c22-19(20-18-9-13-25(23,24)15-18)8-12-21-10-6-17(7-11-21)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,20,22)
InChIKeyKPXPNISQJLNBHE-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.63
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 109026321) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID109026321
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESO=C(CCN1CCC(Cc2ccccc2)CC1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H28N2O3S/c22-19(20-18-9-13-25(23,24)15-18)8-12-21-10-6-17(7-11-21)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,20,22)
InChIKeyKPXPNISQJLNBHE-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
3-[(4-methylbenzyl)sulfonyl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 3239891
1-ethylsulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 4055939
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952
N-[2-(3-methylphenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 5051644
N-(1,1-dioxothiolan-3-yl)-3-phenylpropanamide
CID 3354646
3-(Benzylsulfonyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 6488979
3-[(4-methylbenzyl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 3245867
3-[(4-methylbenzyl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 5068932
N-[2-(benzylsulfanyl)ethyl]-1-(benzylsulfonyl)piperidine-4-carboxamide
CID 16016447

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 109026321) is 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is O=C(CCN1CCC(Cc2ccccc2)CC1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is KPXPNISQJLNBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c22-19(20-18-9-13-25(23,24)15-18)8-12-21-10-6-17(7-11-21)14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,20,22).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 364.51 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 109026321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).