1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C22H25N3O2 — CID 20866210

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H25N3O2/c1-17(26)25-10-9-18-15-19(7-8-21(18)25)22(27)16-23-11-13-24(14-12-23)20-5-3-2-4-6-20/h2-8,15H,9-14,16H2,1H3
InChIKeyGCDMNSTXCUYVAN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.60
Rot. Bonds4

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 20866210) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID20866210
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H25N3O2/c1-17(26)25-10-9-18-15-19(7-8-21(18)25)22(27)16-23-11-13-24(14-12-23)20-5-3-2-4-6-20/h2-8,15H,9-14,16H2,1H3
InChIKeyGCDMNSTXCUYVAN-UHFFFAOYSA-N
XLogP2.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
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
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4R)-4-(4-fluorophenyl)-4-hydroxyazepan-1-yl]ethanone
CID 92549936
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-[5-(4-benzylpiperazin-1-yl)-2,3-dihydroindol-1-yl]ethanone;1-(6-piperazin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 161177802

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 20866210) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone is CC(=O)N1CCc2cc(C(=O)CN3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is GCDMNSTXCUYVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(26)25-10-9-18-15-19(7-8-21(18)25)22(27)16-23-11-13-24(14-12-23)20-5-3-2-4-6-20/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 363.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 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)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20866210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).