4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide

C23H28N4O2 — CID 108876487

IUPAC4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESO=C1CC(NC(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c28-22-15-21(18-27(22)17-20-9-5-2-6-10-20)24-23(29)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,24,29)
InChIKeyANDGMKAYNQHZBE-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.31
Rot. Bonds5

About 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide

4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide (PubChem CID 108876487) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
PubChem CID108876487
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESO=C1CC(NC(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H28N4O2/c28-22-15-21(18-27(22)17-20-9-5-2-6-10-20)24-23(29)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,24,29)
InChIKeyANDGMKAYNQHZBE-UHFFFAOYSA-N
XLogP2.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide 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

N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197
4-benzyl-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7547868
N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108876723
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
CID 108876410
4-benzyl-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7546934
4-benzyl-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 30508800
4-benzyl-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 30508803
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
CID 108876535
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 108876378
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide (CID 108876487) is 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide is O=C1CC(NC(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
The InChIKey is ANDGMKAYNQHZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22-15-21(18-27(22)17-20-9-5-2-6-10-20)24-23(29)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,24,29).
What are the key properties of 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide?
4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108876487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).