1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone

C22H27N3O2 — CID 6619807

IUPAC1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H27N3O2/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/h2-8,15,22,27H,9-14,16H2,1H3
InChIKeyCXDAFZGOWBZDMP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds4

About 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 6619807) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID6619807
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C22H27N3O2/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/h2-8,15,22,27H,9-14,16H2,1H3
InChIKeyCXDAFZGOWBZDMP-UHFFFAOYSA-N
XLogP2.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone (CID 6619807) is 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(O)CN3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is CXDAFZGOWBZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/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/h2-8,15,22,27H,9-14,16H2,1H3.
What are the key properties of 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 365.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 6619807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).