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

C17H19N3O — CID 122628175

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)C1CCNCC1
InChIInChI=1S/C17H19N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-4,10-12,15,18H,5-9H2
InChIKeyXCJARHBONZZJRT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.41
Rot. Bonds3

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

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone (PubChem CID 122628175) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
PubChem CID122628175
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)C1CCNCC1
InChIInChI=1S/C17H19N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-4,10-12,15,18H,5-9H2
InChIKeyXCJARHBONZZJRT-UHFFFAOYSA-N
XLogP2.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
1-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 142381557
1-[1-[2-(N-ethylanilino)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 135172726
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
CID 169436950
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402347
(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
CID 118857872
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
CID 154006094
tert-butyl 3-[2-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]piperidin-1-yl]-2-oxoethoxy]pyrrolidine-1-carboxylate
CID 135172761
1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300406
1-(4-hydroxycyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanone
CID 118917048
1-cyclohexyl-2-(9-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 118931125

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone (CID 122628175) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone is O=C(CC1c2ccccc2-c2cncn21)C1CCNCC1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone?
The InChIKey is XCJARHBONZZJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-4,10-12,15,18H,5-9H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone has a molecular weight of 281.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone is sourced from PubChem (CID 122628175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).