1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone

C22H29N3O2 — CID 110815046

IUPAC1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)Cc3cc(C)n(C)c3C)CC2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15-6-7-20(16(2)12-15)22(27)25-10-8-24(9-11-25)21(26)14-19-13-17(3)23(5)18(19)4/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyJQWWELHECIFXGU-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.79
Rot. Bonds3

About 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone

1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110815046) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110815046
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)Cc3cc(C)n(C)c3C)CC2)c(C)c1
InChIInChI=1S/C22H29N3O2/c1-15-6-7-20(16(2)12-15)22(27)25-10-8-24(9-11-25)21(26)14-19-13-17(3)23(5)18(19)4/h6-7,12-13H,8-11,14H2,1-5H3
InChIKeyJQWWELHECIFXGU-UHFFFAOYSA-N
XLogP2.79
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-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

1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110808027
1-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110814922
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110804247
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799984
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110807993
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110802364
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
3-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814648
2-methyl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110806399
1-(4-benzylpiperazin-1-yl)-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110773664

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110815046) is 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1ccc(C(=O)N2CCN(C(=O)Cc3cc(C)n(C)c3C)CC2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is JQWWELHECIFXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-6-7-20(16(2)12-15)22(27)25-10-8-24(9-11-25)21(26)14-19-13-17(3)23(5)18(19)4/h6-7,12-13H,8-11,14H2,1-5H3.
What are the key properties of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone?
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 367.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110815046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).