6-piperazin-1-yl-2,3-dihydroisoindol-1-one

C12H15N3O — CID 130366423

IUPAC6-piperazin-1-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C12H15N3O/c16-12-11-7-10(2-1-9(11)8-14-12)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16)
InChIKeyBSJOQZQRIVTRDP-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.34
Rot. Bonds1

About 6-piperazin-1-yl-2,3-dihydroisoindol-1-one

6-piperazin-1-yl-2,3-dihydroisoindol-1-one (PubChem CID 130366423) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-piperazin-1-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-piperazin-1-yl-2,3-dihydroisoindol-1-one
PubChem CID130366423
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-piperazin-1-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(N3CCNCC3)cc21
InChIInChI=1S/C12H15N3O/c16-12-11-7-10(2-1-9(11)8-14-12)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16)
InChIKeyBSJOQZQRIVTRDP-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-piperazin-1-yl-2,3-dihydroisoindol-1-one (CID 130366423) is 6-piperazin-1-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-piperazin-1-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-piperazin-1-yl-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(N3CCNCC3)cc21.
What is the InChIKey of 6-piperazin-1-yl-2,3-dihydroisoindol-1-one?
The InChIKey is BSJOQZQRIVTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-11-7-10(2-1-9(11)8-14-12)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16).
What are the key properties of 6-piperazin-1-yl-2,3-dihydroisoindol-1-one?
6-piperazin-1-yl-2,3-dihydroisoindol-1-one has a molecular weight of 217.27 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 130366423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).