(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone

C18H23N3O — CID 53016708

IUPAC(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)CC2)cc(-c2ccccc2)n1C
InChIInChI=1S/C18H23N3O/c1-14-16(18(22)21-11-9-19(2)10-12-21)13-17(20(14)3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3
InChIKeyVUEJEGGZEDJNAT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.39
Rot. Bonds2

About (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone

(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 53016708) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID53016708
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)CC2)cc(-c2ccccc2)n1C
InChIInChI=1S/C18H23N3O/c1-14-16(18(22)21-11-9-19(2)10-12-21)13-17(20(14)3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3
InChIKeyVUEJEGGZEDJNAT-UHFFFAOYSA-N
XLogP2.39
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone 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-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(1-benzyl-2,5-dimethylpyrrol-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804333
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
4-acetyl-6-(4-methylpiperazine-1-carbonyl)benzene-1,3-dicarboxylic acid
CID 58794660
ethyl 4-[1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxylate
CID 42665692
1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 7231152
1-(2-hydroxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 82085719
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 53016708) is (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(C)CC2)cc(-c2ccccc2)n1C.
What is the InChIKey of (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VUEJEGGZEDJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-16(18(22)21-11-9-19(2)10-12-21)13-17(20(14)3)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3.
What are the key properties of (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-5-phenylpyrrol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53016708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).