[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone

C25H27ClN2O — CID 7213876

IUPAC[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCC(C)CC3)c2C)cc1
InChIInChI=1S/C25H27ClN2O/c1-17-4-10-22(11-5-17)28-19(3)23(25(29)27-14-12-18(2)13-15-27)16-24(28)20-6-8-21(26)9-7-20/h4-11,16,18H,12-15H2,1-3H3
InChIKeyINOBQLRLXRPYHQ-UHFFFAOYSA-N
MW406.96 g/mol
LogP6.29
Rot. Bonds3

About [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone

[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 7213876) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID7213876
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCC(C)CC3)c2C)cc1
InChIInChI=1S/C25H27ClN2O/c1-17-4-10-22(11-5-17)28-19(3)23(25(29)27-14-12-18(2)13-15-27)16-24(28)20-6-8-21(26)9-7-20/h4-11,16,18H,12-15H2,1-3H3
InChIKeyINOBQLRLXRPYHQ-UHFFFAOYSA-N
XLogP6.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-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

1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
CID 42785626
[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213356
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 3486624
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42785656
[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 3899954
N-(2,4-dichlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxamide
CID 3468122
[4-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42792027
4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 42791698
[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 3990372
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
1-[4-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 24718477

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 7213876) is [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCC(C)CC3)c2C)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is INOBQLRLXRPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-17-4-10-22(11-5-17)28-19(3)23(25(29)27-14-12-18(2)13-15-27)16-24(28)20-6-8-21(26)9-7-20/h4-11,16,18H,12-15H2,1-3H3.
What are the key properties of [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 406.96 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 7213876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).