3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

C22H24ClN3O2 — CID 24674722

IUPAC3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-7-5-18(6-8-19)22(28)25-15-13-24(14-16-25)11-10-21(27)26-12-9-17-3-1-2-4-20(17)26/h1-8H,9-16H2
InChIKeyHQHPIOBHDSWJBX-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.08
Rot. Bonds4

About 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 24674722) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID24674722
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(c1ccc(Cl)cc1)N1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-7-5-18(6-8-19)22(28)25-15-13-24(14-16-25)11-10-21(27)26-12-9-17-3-1-2-4-20(17)26/h1-8H,9-16H2
InChIKeyHQHPIOBHDSWJBX-UHFFFAOYSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 37376175
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 17257492
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
1-(2,3-dihydroindol-1-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 51302576
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
[4-[2-(benzylideneamino)ethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
CID 2822210
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 24674722) is 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is O=C(c1ccc(Cl)cc1)N1CCN(CCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is HQHPIOBHDSWJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-7-5-18(6-8-19)22(28)25-15-13-24(14-16-25)11-10-21(27)26-12-9-17-3-1-2-4-20(17)26/h1-8H,9-16H2.
What are the key properties of 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 397.91 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 24674722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).