2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone

C14H19N3O — CID 115104675

IUPAC2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc2c(c1)CNC2)N1CCNCC1
InChIInChI=1S/C14H19N3O/c18-14(17-5-3-15-4-6-17)8-11-1-2-12-9-16-10-13(12)7-11/h1-2,7,15-16H,3-6,8-10H2
InChIKeyGVPXTGKTOCLPKZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone

2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone (PubChem CID 115104675) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
PubChem CID115104675
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1ccc2c(c1)CNC2)N1CCNCC1
InChIInChI=1S/C14H19N3O/c18-14(17-5-3-15-4-6-17)8-11-1-2-12-9-16-10-13(12)7-11/h1-2,7,15-16H,3-6,8-10H2
InChIKeyGVPXTGKTOCLPKZ-UHFFFAOYSA-N
XLogP0.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 115104716
2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 146530446
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
2-(3-iodophenyl)-1-piperazin-1-ylethanone
CID 119400955
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 96669750
2-(3-iodophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119400954
2-(3-tert-butyl-4-hydroxyphenyl)-1-piperazin-1-ylethanone
CID 22104765
2-(4-amino-3-methoxyphenyl)-1-piperazin-1-ylethanone
CID 141462350
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone (CID 115104675) is 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone is O=C(Cc1ccc2c(c1)CNC2)N1CCNCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone?
The InChIKey is GVPXTGKTOCLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(17-5-3-15-4-6-17)8-11-1-2-12-9-16-10-13(12)7-11/h1-2,7,15-16H,3-6,8-10H2.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone?
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone has a molecular weight of 245.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 115104675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).