2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide

C21H28ClN3O2 — CID 46024550

IUPAC2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H28ClN3O2/c1-2-11-23-20(26)19(16-7-3-4-8-16)24-12-14-25(15-13-24)21(27)17-9-5-6-10-18(17)22/h2,5-6,9-10,16,19H,1,3-4,7-8,11-15H2,(H,23,26)
InChIKeyZDNBPRAJCACWEX-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide (PubChem CID 46024550) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
PubChem CID46024550
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H28ClN3O2/c1-2-11-23-20(26)19(16-7-3-4-8-16)24-12-14-25(15-13-24)21(27)17-9-5-6-10-18(17)22/h2,5-6,9-10,16,19H,1,3-4,7-8,11-15H2,(H,23,26)
InChIKeyZDNBPRAJCACWEX-UHFFFAOYSA-N
XLogP2.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide 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

(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 46024261
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 93210191
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536
(2S)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-methylphenyl)methyl]acetamide
CID 93210378
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
4-[1-cyclopentyl-2-oxo-2-(2-phenylethylamino)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 46027240
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024558
4-[(1S)-1-cyclopentyl-2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 93221335
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide (CID 46024550) is 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide is C=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
The InChIKey is ZDNBPRAJCACWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-2-11-23-20(26)19(16-7-3-4-8-16)24-12-14-25(15-13-24)21(27)17-9-5-6-10-18(17)22/h2,5-6,9-10,16,19H,1,3-4,7-8,11-15H2,(H,23,26).
What are the key properties of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide?
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide has a molecular weight of 389.93 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide is sourced from PubChem (CID 46024550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).