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

C24H31N3O2 — CID 70874141

IUPACcyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H31N3O2/c28-23(14-21-19-8-4-5-9-20(19)22-15-25-16-27(21)22)17-10-12-26(13-11-17)24(29)18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,28H,1-3,6-7,10-14H2
InChIKeyFDUHADIZUWTWAZ-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.02
Rot. Bonds4

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

cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 70874141) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
PubChem CID70874141
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Namecyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C24H31N3O2/c28-23(14-21-19-8-4-5-9-20(19)22-15-25-16-27(21)22)17-10-12-26(13-11-17)24(29)18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,28H,1-3,6-7,10-14H2
InChIKeyFDUHADIZUWTWAZ-UHFFFAOYSA-N
XLogP4.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone (CID 70874141) is cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(C(O)CC2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is FDUHADIZUWTWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-23(14-21-19-8-4-5-9-20(19)22-15-25-16-27(21)22)17-10-12-26(13-11-17)24(29)18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,28H,1-3,6-7,10-14H2.
What are the key properties of cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 393.53 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70874141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).