1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

C19H23N3O2 — CID 66558379

IUPAC1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C19H23N3O2/c1-13(23)21-8-6-14(7-9-21)19(24)10-17-15-4-2-3-5-16(15)18-11-20-12-22(17)18/h2-5,11-12,14,17,19,24H,6-10H2,1H3
InChIKeyTZLKQKCGJBWURI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone (PubChem CID 66558379) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone
PubChem CID66558379
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C19H23N3O2/c1-13(23)21-8-6-14(7-9-21)19(24)10-17-15-4-2-3-5-16(15)18-11-20-12-22(17)18/h2-5,11-12,14,17,19,24H,6-10H2,1H3
InChIKeyTZLKQKCGJBWURI-UHFFFAOYSA-N
XLogP2.46
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

trans-4-((1R)-2-((5S)-6-Fluoro-5H-imidazo(5,1-a)isoindol-5-yl)-1-hydroxyethyl)cyclohexanol
CID 70914230
Nlg919
CID 66558287
Acyl piperidine derivative 1
CID 70874141
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
1-cyclohexyl-2-(4H-imidazo[1,5-a]indol-4-yl)ethanol
CID 78426054
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
1-Cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol
CID 118917121
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol
CID 129282689
Imidazoleisoindoles derivative 1
CID 122628163
US10233190, Example 1286
CID 66558197
2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 66558199
US10233190, Example 1374
CID 66558377

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone (CID 66558379) is 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is TZLKQKCGJBWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(23)21-8-6-14(7-9-21)19(24)10-17-15-4-2-3-5-16(15)18-11-20-12-22(17)18/h2-5,11-12,14,17,19,24H,6-10H2,1H3.
What are the key properties of 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone?
1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66558379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).