3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C30H32ClN3O2 — CID 10051762

IUPAC3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(C)cc23)CC1
InChIInChI=1S/C30H32ClN3O2/c1-21-8-14-26-25(20-21)24(30(32(26)2)22-9-11-23(31)12-10-22)13-15-29(35)34-18-16-33(17-19-34)27-6-4-5-7-28(27)36-3/h4-12,14,20H,13,15-19H2,1-3H3
InChIKeyCUTQSIQNQAYIQS-UHFFFAOYSA-N
MW502.06 g/mol
LogP6.10
Rot. Bonds6

About 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 10051762) has the molecular formula C30H32ClN3O2 and a molecular weight of 502.06 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID10051762
Molecular FormulaC30H32ClN3O2
Molecular Weight502.06 g/mol
Exact Mass501.22
IUPAC Name3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(C)cc23)CC1
InChIInChI=1S/C30H32ClN3O2/c1-21-8-14-26-25(20-21)24(30(32(26)2)22-9-11-23(31)12-10-22)13-15-29(35)34-18-16-33(17-19-34)27-6-4-5-7-28(27)36-3/h4-12,14,20H,13,15-19H2,1-3H3
InChIKeyCUTQSIQNQAYIQS-UHFFFAOYSA-N
XLogP6.10
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.06
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-chlorophenyl)-1,5-dimethylindol-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)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 10051762) is 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(C)cc23)CC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is CUTQSIQNQAYIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN3O2/c1-21-8-14-26-25(20-21)24(30(32(26)2)22-9-11-23(31)12-10-22)13-15-29(35)34-18-16-33(17-19-34)27-6-4-5-7-28(27)36-3/h4-12,14,20H,13,15-19H2,1-3H3.
What are the key properties of 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 502.06 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-1,5-dimethylindol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 10051762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).