1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

C22H24ClN3O2 — CID 5309628

IUPAC1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-17-13-18(5-6-21(17)26)22(28)15-24-9-11-25(12-10-24)20-4-2-3-19(23)14-20/h2-6,13-14H,7-12,15H2,1H3
InChIKeyUYGZOMLQUUQWTQ-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 5309628) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID5309628
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-17-13-18(5-6-21(17)26)22(28)15-24-9-11-25(12-10-24)20-4-2-3-19(23)14-20/h2-6,13-14H,7-12,15H2,1H3
InChIKeyUYGZOMLQUUQWTQ-UHFFFAOYSA-N
XLogP3.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone (CID 5309628) is 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is UYGZOMLQUUQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16(27)26-8-7-17-13-18(5-6-21(17)26)22(28)15-24-9-11-25(12-10-24)20-4-2-3-19(23)14-20/h2-6,13-14H,7-12,15H2,1H3.
What are the key properties of 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone?
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 397.91 g/mol, XLogP of 3.25, 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-(3-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 5309628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).