3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one

C22H23Cl2N3O — CID 18669066

IUPAC3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C22H23Cl2N3O/c1-26-20-8-6-17(24)14-19(20)18(22(26)15-2-4-16(23)5-3-15)7-9-21(28)27-12-10-25-11-13-27/h2-6,8,14,25H,7,9-13H2,1H3
InChIKeyARWGBMVIZUGELW-UHFFFAOYSA-N
MW416.35 g/mol
LogP4.52
Rot. Bonds4

About 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one

3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 18669066) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID18669066
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one
SMILESCn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C22H23Cl2N3O/c1-26-20-8-6-17(24)14-19(20)18(22(26)15-2-4-16(23)5-3-15)7-9-21(28)27-12-10-25-11-13-27/h2-6,8,14,25H,7,9-13H2,1H3
InChIKeyARWGBMVIZUGELW-UHFFFAOYSA-N
XLogP4.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one (CID 18669066) is 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one is Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is ARWGBMVIZUGELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O/c1-26-20-8-6-17(24)14-19(20)18(22(26)15-2-4-16(23)5-3-15)7-9-21(28)27-12-10-25-11-13-27/h2-6,8,14,25H,7,9-13H2,1H3.
What are the key properties of 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one?
3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 416.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(4-chlorophenyl)-1-methylindol-3-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 18669066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).