1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one

C20H27N3O — CID 46342958

IUPAC1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one
SMILESCCN1CCN(C(=O)CC(c2ccccc2C)n2cccc2)CC1
InChIInChI=1S/C20H27N3O/c1-3-21-12-14-23(15-13-21)20(24)16-19(22-10-6-7-11-22)18-9-5-4-8-17(18)2/h4-11,19H,3,12-16H2,1-2H3
InChIKeyOCHJPAWOJBXQJQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.94
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one

1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 46342958) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one
PubChem CID46342958
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one
SMILESCCN1CCN(C(=O)CC(c2ccccc2C)n2cccc2)CC1
InChIInChI=1S/C20H27N3O/c1-3-21-12-14-23(15-13-21)20(24)16-19(22-10-6-7-11-22)18-9-5-4-8-17(18)2/h4-11,19H,3,12-16H2,1-2H3
InChIKeyOCHJPAWOJBXQJQ-UHFFFAOYSA-N
XLogP2.94
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one (CID 46342958) is 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one is CCN1CCN(C(=O)CC(c2ccccc2C)n2cccc2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is OCHJPAWOJBXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-21-12-14-23(15-13-21)20(24)16-19(22-10-6-7-11-22)18-9-5-4-8-17(18)2/h4-11,19H,3,12-16H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 325.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 46342958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).