[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C25H29N3O2 — CID 26534552

IUPAC[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1
InChIInChI=1S/C25H29N3O2/c1-18-8-7-9-21(16-18)28-19(2)17-22(20(28)3)25(29)27-14-12-26(13-15-27)23-10-5-6-11-24(23)30-4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyCMVIGNUIJUTRHU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.37
Rot. Bonds4

About [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 26534552) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID26534552
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1
InChIInChI=1S/C25H29N3O2/c1-18-8-7-9-21(16-18)28-19(2)17-22(20(28)3)25(29)27-14-12-26(13-15-27)23-10-5-6-11-24(23)30-4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyCMVIGNUIJUTRHU-UHFFFAOYSA-N
XLogP4.37
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-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-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(3-methylphenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27040790
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120613
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110659368
(2-bromo-4-fluorophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9033985

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 26534552) is [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1.
What is the InChIKey of [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CMVIGNUIJUTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-18-8-7-9-21(16-18)28-19(2)17-22(20(28)3)25(29)27-14-12-26(13-15-27)23-10-5-6-11-24(23)30-4/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26534552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).