6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one

C17H24N4O — CID 175906940

IUPAC6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(N3CCC(N4CCNCC4)CC3)cc21
InChIInChI=1S/C17H24N4O/c22-17-16-11-15(2-1-13(16)12-19-17)20-7-3-14(4-8-20)21-9-5-18-6-10-21/h1-2,11,14,18H,3-10,12H2,(H,19,22)
InChIKeyXQXJGWFBIAVZQK-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.80
Rot. Bonds2

About 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one

6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one (PubChem CID 175906940) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one
PubChem CID175906940
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(N3CCC(N4CCNCC4)CC3)cc21
InChIInChI=1S/C17H24N4O/c22-17-16-11-15(2-1-13(16)12-19-17)20-7-3-14(4-8-20)21-9-5-18-6-10-21/h1-2,11,14,18H,3-10,12H2,(H,19,22)
InChIKeyXQXJGWFBIAVZQK-UHFFFAOYSA-N
XLogP0.80
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one (CID 175906940) is 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(N3CCC(N4CCNCC4)CC3)cc21.
What is the InChIKey of 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is XQXJGWFBIAVZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17-16-11-15(2-1-13(16)12-19-17)20-7-3-14(4-8-20)21-9-5-18-6-10-21/h1-2,11,14,18H,3-10,12H2,(H,19,22).
What are the key properties of 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one?
6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 300.41 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-piperazin-1-ylpiperidin-1-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175906940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).