3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H23N3O2 — CID 110665042

IUPAC3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)N1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N3O2/c1-14(21)19-12-10-18(11-13-19)8-7-17(22)20-9-6-15-4-2-3-5-16(15)20/h2-5H,6-13H2,1H3
InChIKeyXYYDEVNPHZQEQR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.13
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 110665042) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID110665042
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)N1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H23N3O2/c1-14(21)19-12-10-18(11-13-19)8-7-17(22)20-9-6-15-4-2-3-5-16(15)20/h2-5H,6-13H2,1H3
InChIKeyXYYDEVNPHZQEQR-UHFFFAOYSA-N
XLogP1.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 37376175
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
CID 36895358
1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 30099955
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
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495
1-(2,3-dihydroindol-1-yl)-3-(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944570

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 110665042) is 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(=O)N1CCN(CCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is XYYDEVNPHZQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-14(21)19-12-10-18(11-13-19)8-7-17(22)20-9-6-15-4-2-3-5-16(15)20/h2-5H,6-13H2,1H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 110665042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).