1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

C22H25Cl2N3O — CID 10180279

IUPAC1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C22H25Cl2N3O/c1-16(28)27-15-17(19-4-2-3-5-22(19)27)8-9-25-10-12-26(13-11-25)18-6-7-20(23)21(24)14-18/h2-7,14,17H,8-13,15H2,1H3
InChIKeyXNDRSUITFINVFC-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone

1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 10180279) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID10180279
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC Name1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CC(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21
InChIInChI=1S/C22H25Cl2N3O/c1-16(28)27-15-17(19-4-2-3-5-22(19)27)8-9-25-10-12-26(13-11-25)18-6-7-20(23)21(24)14-18/h2-7,14,17H,8-13,15H2,1H3
InChIKeyXNDRSUITFINVFC-UHFFFAOYSA-N
XLogP4.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone (CID 10180279) is 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CC(CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XNDRSUITFINVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-16(28)27-15-17(19-4-2-3-5-22(19)27)8-9-25-10-12-26(13-11-25)18-6-7-20(23)21(24)14-18/h2-7,14,17H,8-13,15H2,1H3.
What are the key properties of 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 418.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 10180279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).