1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one

C18H20ClN3O2 — CID 70704402

IUPAC1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one
SMILESCC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCn1cccc1
InChIInChI=1S/C18H20ClN3O2/c1-14-12-22(16-6-4-15(19)5-7-16)18(24)13-21(14)17(23)8-11-20-9-2-3-10-20/h2-7,9-10,14H,8,11-13H2,1H3
InChIKeyWXQKUGPNVNGMMJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one

1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one (PubChem CID 70704402) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one
PubChem CID70704402
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one
SMILESCC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCn1cccc1
InChIInChI=1S/C18H20ClN3O2/c1-14-12-22(16-6-4-15(19)5-7-16)18(24)13-21(14)17(23)8-11-20-9-2-3-10-20/h2-7,9-10,14H,8,11-13H2,1H3
InChIKeyWXQKUGPNVNGMMJ-UHFFFAOYSA-N
XLogP2.80
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-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-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one (CID 70704402) is 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one is CC1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CCn1cccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one?
The InChIKey is WXQKUGPNVNGMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-14-12-22(16-6-4-15(19)5-7-16)18(24)13-21(14)17(23)8-11-20-9-2-3-10-20/h2-7,9-10,14H,8,11-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one?
1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one has a molecular weight of 345.83 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyl-4-(3-pyrrol-1-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 70704402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).