3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

C21H30N2O2 — CID 134021008

IUPAC3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-17-6-2-5-9-19(17)16-21(25)23-14-12-22(13-15-23)20(24)11-10-18-7-3-4-8-18/h2,5-6,9,18H,3-4,7-8,10-16H2,1H3
InChIKeyLBOWSNHPLKRLPB-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.18
Rot. Bonds5

About 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 134021008) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID134021008
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-17-6-2-5-9-19(17)16-21(25)23-14-12-22(13-15-23)20(24)11-10-18-7-3-4-8-18/h2,5-6,9,18H,3-4,7-8,10-16H2,1H3
InChIKeyLBOWSNHPLKRLPB-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one 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

1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
3-(dimethylamino)-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666193
3-cyclopentyl-1-[4-[2-(2,6-dimethoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 136514101
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45184042
3-cyclohexyl-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]propan-1-one
CID 121163705
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one (CID 134021008) is 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one is Cc1ccccc1CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is LBOWSNHPLKRLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-17-6-2-5-9-19(17)16-21(25)23-14-12-22(13-15-23)20(24)11-10-18-7-3-4-8-18/h2,5-6,9,18H,3-4,7-8,10-16H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 134021008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).