1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

C22H33N3O2 — CID 6625251

IUPAC1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCN(C4CCCCC4)CC3)ccc21
InChIInChI=1S/C22H33N3O2/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/h7-8,15,20,22,27H,2-6,9-14,16H2,1H3
InChIKeyXJKPYIZXRCACMI-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.58
Rot. Bonds4

About 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 6625251) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID6625251
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCN(C4CCCCC4)CC3)ccc21
InChIInChI=1S/C22H33N3O2/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/h7-8,15,20,22,27H,2-6,9-14,16H2,1H3
InChIKeyXJKPYIZXRCACMI-UHFFFAOYSA-N
XLogP2.58
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 5308534
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indol-2-one
CID 14580202
ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 3237098
(4-benzylpiperazino)(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)methanone
CID 110201056
5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 9929020
5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-propyl]-1,3-dihydro-indol-2-one
CID 44383751
5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 44384451
1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 20866266
tert-Butyl 5-(hydroxymethyl)indoline-1-carboxylate
CID 10753138
1-(5-{2-[4-(5-chloro-2-methylphenyl)piperazino]-1-hydroxyethyl}-2,3-dihydro-1H-indol-1-yl)-1-ethanone
CID 20866287
1-{5-[2-(dibenzylamino)-1-hydroxyethyl]-2,3-dihydro-1H-indol-1-yl}-1-ethanone
CID 13472298
1-[(3aR,4R,9bS)-4-(hydroxymethyl)-5-methyl-8-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-(dimethylamino)ethanone
CID 54665477

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (CID 6625251) is 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(O)CN3CCN(C4CCCCC4)CC3)ccc21.
What is the InChIKey of 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XJKPYIZXRCACMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/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/h7-8,15,20,22,27H,2-6,9-14,16H2,1H3.
What are the key properties of 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-cyclohexylpiperazin-1-yl)-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 6625251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).