[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone

C22H20FN3O — CID 155567542

IUPAC[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C22H20FN3O/c23-18-8-4-7-17-19-13-24-14-26(19)21(20(17)18)15-9-11-25(12-10-15)22(27)16-5-2-1-3-6-16/h1-8,13-15,21H,9-12H2
InChIKeyJEUACNXAOCALLL-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.14
Rot. Bonds2

About [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone

[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 155567542) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone
PubChem CID155567542
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(C2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C22H20FN3O/c23-18-8-4-7-17-19-13-24-14-26(19)21(20(17)18)15-9-11-25(12-10-15)22(27)16-5-2-1-3-6-16/h1-8,13-15,21H,9-12H2
InChIKeyJEUACNXAOCALLL-UHFFFAOYSA-N
XLogP4.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone (CID 155567542) is [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(C2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is JEUACNXAOCALLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-18-8-4-7-17-19-13-24-14-26(19)21(20(17)18)15-9-11-25(12-10-15)22(27)16-5-2-1-3-6-16/h1-8,13-15,21H,9-12H2.
What are the key properties of [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone?
[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 361.42 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 155567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).