5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide

C24H34ClN3O2 — CID 4303198

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide
SMILESCC(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H34ClN3O2/c1-19(16-23(29)26-11-10-20-6-3-2-4-7-20)17-24(30)28-14-12-27(13-15-28)22-9-5-8-21(25)18-22/h5-6,8-9,18-19H,2-4,7,10-17H2,1H3,(H,26,29)
InChIKeyUUTWODRWYDEKKH-UHFFFAOYSA-N
MW432.01 g/mol
LogP4.41
Rot. Bonds8

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide (PubChem CID 4303198) has the molecular formula C24H34ClN3O2 and a molecular weight of 432.01 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide
PubChem CID4303198
Molecular FormulaC24H34ClN3O2
Molecular Weight432.01 g/mol
Exact Mass431.23
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide
SMILESCC(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H34ClN3O2/c1-19(16-23(29)26-11-10-20-6-3-2-4-7-20)17-24(30)28-14-12-27(13-15-28)22-9-5-8-21(25)18-22/h5-6,8-9,18-19H,2-4,7,10-17H2,1H3,(H,26,29)
InChIKeyUUTWODRWYDEKKH-UHFFFAOYSA-N
XLogP4.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide 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-[2-(cyclohexen-1-yl)ethyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
CID 3646176
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
(3S)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 7317261
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 17148746
N-[2-(cyclohexen-1-yl)ethyl]-N',N'-diethyl-3-methylpentanediamide
CID 25246872
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 40568364
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide (CID 4303198) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide is CC(CC(=O)NCCC1=CCCCC1)CC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide?
The InChIKey is UUTWODRWYDEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O2/c1-19(16-23(29)26-11-10-20-6-3-2-4-7-20)17-24(30)28-14-12-27(13-15-28)22-9-5-8-21(25)18-22/h5-6,8-9,18-19H,2-4,7,10-17H2,1H3,(H,26,29).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide has a molecular weight of 432.01 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 4303198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).