2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C24H30N3O2+ — CID 8538965

IUPAC2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H29N3O2/c28-23(25-21-8-10-22(11-9-21)27-14-4-7-24(27)29)18-26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2,(H,25,28)/p+1
InChIKeyVJYGAFHVHRHPTC-UHFFFAOYSA-O
MW392.52 g/mol
LogP2.29
Rot. Bonds6

About 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 8538965) has the molecular formula C24H30N3O2+ and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID8538965
Molecular FormulaC24H30N3O2+
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H29N3O2/c28-23(25-21-8-10-22(11-9-21)27-14-4-7-24(27)29)18-26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2,(H,25,28)/p+1
InChIKeyVJYGAFHVHRHPTC-UHFFFAOYSA-O
XLogP2.29
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide 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

2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9450250
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 2697635
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9451484
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-phenylpropanoate
CID 9416104
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
2-(2-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716524
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 8538965) is 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is VJYGAFHVHRHPTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N3O2/c28-23(25-21-8-10-22(11-9-21)27-14-4-7-24(27)29)18-26-15-12-20(13-16-26)17-19-5-2-1-3-6-19/h1-3,5-6,8-11,20H,4,7,12-18H2,(H,25,28)/p+1.
What are the key properties of 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 392.52 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 8538965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).