1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one

C17H23N3O2 — CID 82136459

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCN3CCNCC3)ccc21
InChIInChI=1S/C17H23N3O2/c1-13(21)20-9-4-14-12-15(2-3-16(14)20)17(22)5-8-19-10-6-18-7-11-19/h2-3,12,18H,4-11H2,1H3
InChIKeyWBRDGFCEKWJVLE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.07
Rot. Bonds4

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82136459) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82136459
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
SMILESCC(=O)N1CCc2cc(C(=O)CCN3CCNCC3)ccc21
InChIInChI=1S/C17H23N3O2/c1-13(21)20-9-4-14-12-15(2-3-16(14)20)17(22)5-8-19-10-6-18-7-11-19/h2-3,12,18H,4-11H2,1H3
InChIKeyWBRDGFCEKWJVLE-UHFFFAOYSA-N
XLogP1.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-(1-acetyl-7-amino-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-one
CID 82549978
1-(4-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064813
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 166519378
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one (CID 82136459) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one is CC(=O)N1CCc2cc(C(=O)CCN3CCNCC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is WBRDGFCEKWJVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(21)20-9-4-14-12-15(2-3-16(14)20)17(22)5-8-19-10-6-18-7-11-19/h2-3,12,18H,4-11H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one?
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82136459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).