1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one

C17H24N4O5 — CID 156635131

IUPAC1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one
SMILESO=C1CNCCN1c1ccc2c(c1)C(O)N(C1CCC(O)NC1O)C2O
InChIInChI=1S/C17H24N4O5/c22-13-4-3-12(15(24)19-13)21-16(25)10-2-1-9(7-11(10)17(21)26)20-6-5-18-8-14(20)23/h1-2,7,12-13,15-19,22,24-26H,3-6,8H2
InChIKeyOZUKLJCNRUCBHQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP-1.69
Rot. Bonds2

About 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one

1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one (PubChem CID 156635131) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one
PubChem CID156635131
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one
SMILESO=C1CNCCN1c1ccc2c(c1)C(O)N(C1CCC(O)NC1O)C2O
InChIInChI=1S/C17H24N4O5/c22-13-4-3-12(15(24)19-13)21-16(25)10-2-1-9(7-11(10)17(21)26)20-6-5-18-8-14(20)23/h1-2,7,12-13,15-19,22,24-26H,3-6,8H2
InChIKeyOZUKLJCNRUCBHQ-UHFFFAOYSA-N
XLogP-1.69
TPSA128.53 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 5-1.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one with MolForge

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Related Compounds

2-[2-[4-(Hydroxymethyl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
CID 75306142
(6S)-3-[(1S)-5-[[[2,2-difluoro-1-hydroxy-2-(3-piperidin-1-ylphenyl)ethyl]amino]methyl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-diol
CID 118656678
3-(6-fluoro-1-hydroxy-3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134441251
3-[2-(2,6-Dihydroxypiperidin-3-yl)-6-fluoro-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]-3-azabicyclo[3.1.0]hexane-6-carbaldehyde
CID 155212809
1-[2-(2,6-Dioxopiperidin-3-yl)-6-fluoro-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 155671644
1-[2-(2,6-Dihydroxypiperidin-3-yl)-6-fluoro-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 155671647
3-[4,6-Difluoro-1-hydroxy-5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 156356916
3-[5-(3-Azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-1,3-dihydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 162689693
Tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazine-1-carboxylate
CID 166068592
3-[4-Fluoro-5-[4-[(4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 169685223
3-(5-Fluoro-1-hydroxy-6-piperazin-1-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 170065354
3-(6-Fluoro-1-hydroxy-5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 176729491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one?
The IUPAC name of 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one (CID 156635131) is 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one.
What is the SMILES notation for 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one?
The canonical SMILES for 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one is O=C1CNCCN1c1ccc2c(c1)C(O)N(C1CCC(O)NC1O)C2O.
What is the InChIKey of 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one?
The InChIKey is OZUKLJCNRUCBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c22-13-4-3-12(15(24)19-13)21-16(25)10-2-1-9(7-11(10)17(21)26)20-6-5-18-8-14(20)23/h1-2,7,12-13,15-19,22,24-26H,3-6,8H2.
What are the key properties of 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one?
1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one has a molecular weight of 364.40 g/mol, XLogP of -1.69, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dihydroxypiperidin-3-yl)-1,3-dihydroxy-1,3-dihydroisoindol-5-yl]piperazin-2-one is sourced from PubChem (CID 156635131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).