1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one

C35H35N3O2 — CID 18669085

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccc(C)cc23)CC1
InChIInChI=1S/C35H35N3O2/c1-25-12-18-31-30(24-25)29(35(36-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26)17-19-34(39)38-22-20-37(21-23-38)32-10-6-7-11-33(32)40-2/h3-16,18,24,36H,17,19-23H2,1-2H3
InChIKeyACJFETYSCBTCMR-UHFFFAOYSA-N
MW529.68 g/mol
LogP7.10
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one (PubChem CID 18669085) has the molecular formula C35H35N3O2 and a molecular weight of 529.68 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one
PubChem CID18669085
Molecular FormulaC35H35N3O2
Molecular Weight529.68 g/mol
Exact Mass529.27
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccc(C)cc23)CC1
InChIInChI=1S/C35H35N3O2/c1-25-12-18-31-30(24-25)29(35(36-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26)17-19-34(39)38-22-20-37(21-23-38)32-10-6-7-11-33(32)40-2/h3-16,18,24,36H,17,19-23H2,1-2H3
InChIKeyACJFETYSCBTCMR-UHFFFAOYSA-N
XLogP7.10
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-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-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one (CID 18669085) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccc(C)cc23)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one?
The InChIKey is ACJFETYSCBTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O2/c1-25-12-18-31-30(24-25)29(35(36-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26)17-19-34(39)38-22-20-37(21-23-38)32-10-6-7-11-33(32)40-2/h3-16,18,24,36H,17,19-23H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one has a molecular weight of 529.68 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one is sourced from PubChem (CID 18669085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).