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

C29H30ClN3O2 — CID 18669082

IUPAC3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)[nH]c3ccc(C)cc23)CC1
InChIInChI=1S/C29H30ClN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3
InChIKeyHRLYOOMQPVBDAN-UHFFFAOYSA-N
MW488.03 g/mol
LogP6.09
Rot. Bonds6

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

3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 18669082) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID18669082
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)[nH]c3ccc(C)cc23)CC1
InChIInChI=1S/C29H30ClN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3
InChIKeyHRLYOOMQPVBDAN-UHFFFAOYSA-N
XLogP6.09
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-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 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 18669082) is 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)[nH]c3ccc(C)cc23)CC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is HRLYOOMQPVBDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-20-7-13-25-24(19-20)23(29(31-25)21-8-10-22(30)11-9-21)12-14-28(34)33-17-15-32(16-18-33)26-5-3-4-6-27(26)35-2/h3-11,13,19,31H,12,14-18H2,1-2H3.
What are the key properties of 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 488.03 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18669082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).