2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C26H38N4O3 — CID 42842791

IUPAC2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1cccc(C(=O)N2CCN(C(C(=O)NCCCN3CCCC3=O)C3CCCC3)CC2)c1
InChIInChI=1S/C26H38N4O3/c1-20-7-4-10-22(19-20)26(33)30-17-15-29(16-18-30)24(21-8-2-3-9-21)25(32)27-12-6-14-28-13-5-11-23(28)31/h4,7,10,19,21,24H,2-3,5-6,8-9,11-18H2,1H3,(H,27,32)
InChIKeyBQVUCJGSGAFXAX-UHFFFAOYSA-N
MW454.62 g/mol
LogP2.44
Rot. Bonds8

About 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 42842791) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID42842791
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC Name2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1cccc(C(=O)N2CCN(C(C(=O)NCCCN3CCCC3=O)C3CCCC3)CC2)c1
InChIInChI=1S/C26H38N4O3/c1-20-7-4-10-22(19-20)26(33)30-17-15-29(16-18-30)24(21-8-2-3-9-21)25(32)27-12-6-14-28-13-5-11-23(28)31/h4,7,10,19,21,24H,2-3,5-6,8-9,11-18H2,1H3,(H,27,32)
InChIKeyBQVUCJGSGAFXAX-UHFFFAOYSA-N
XLogP2.44
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

(2S)-2-[4-(3-bromobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210398
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
(2S)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209461
(2R)-2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-propylacetamide
CID 93209459
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
(2S)-2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 93208373
2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024760

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 42842791) is 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1cccc(C(=O)N2CCN(C(C(=O)NCCCN3CCCC3=O)C3CCCC3)CC2)c1.
What is the InChIKey of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is BQVUCJGSGAFXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-20-7-4-10-22(19-20)26(33)30-17-15-29(16-18-30)24(21-8-2-3-9-21)25(32)27-12-6-14-28-13-5-11-23(28)31/h4,7,10,19,21,24H,2-3,5-6,8-9,11-18H2,1H3,(H,27,32).
What are the key properties of 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 454.62 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 42842791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).