2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

C18H25N3O2 — CID 119311728

IUPAC2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C18H25N3O2/c1-14-5-2-3-6-15(14)13-17(22)20-9-11-21(12-10-20)18(23)16-7-4-8-19-16/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyOPPZHXWJWGALGK-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.96
Rot. Bonds3

About 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119311728) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID119311728
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C18H25N3O2/c1-14-5-2-3-6-15(14)13-17(22)20-9-11-21(12-10-20)18(23)16-7-4-8-19-16/h2-3,5-6,16,19H,4,7-13H2,1H3
InChIKeyOPPZHXWJWGALGK-UHFFFAOYSA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone 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

2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
2-(2-fluorophenyl)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119306855
2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
2-(2-methylphenyl)-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119763352
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93266197
[4-(2,3-diethylbenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 142475066
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
2-(2-methylphenoxy)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119330992
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (CID 119311728) is 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccccc1CC(=O)N1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is OPPZHXWJWGALGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-5-2-3-6-15(14)13-17(22)20-9-11-21(12-10-20)18(23)16-7-4-8-19-16/h2-3,5-6,16,19H,4,7-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119311728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).