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

C24H24FN3O2 — CID 66558640

IUPAC(4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H24FN3O2/c25-18-7-5-17(6-8-18)24(30)27-11-9-16(10-12-27)23(29)13-21-19-3-1-2-4-20(19)22-14-26-15-28(21)22/h1-8,14-16,21,23,29H,9-13H2
InChIKeySBGDHJQZWJCENG-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.90
Rot. Bonds4

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

(4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 66558640) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
PubChem CID66558640
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H24FN3O2/c25-18-7-5-17(6-8-18)24(30)27-11-9-16(10-12-27)23(29)13-21-19-3-1-2-4-20(19)22-14-26-15-28(21)22/h1-8,14-16,21,23,29H,9-13H2
InChIKeySBGDHJQZWJCENG-UHFFFAOYSA-N
XLogP3.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone (CID 66558640) is (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is SBGDHJQZWJCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-18-7-5-17(6-8-18)24(30)27-11-9-16(10-12-27)23(29)13-21-19-3-1-2-4-20(19)22-14-26-15-28(21)22/h1-8,14-16,21,23,29H,9-13H2.
What are the key properties of (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 405.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 66558640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).