2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile

C14H13N3O4 — CID 163362452

IUPAC2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)N(C1CCC(O)NC1O)C2=O
InChIInChI=1S/C14H13N3O4/c15-6-7-1-2-8-9(5-7)14(21)17(13(8)20)10-3-4-11(18)16-12(10)19/h1-2,5,10-12,16,18-19H,3-4H2
InChIKeyYASRXSVTLGIKSF-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.46
Rot. Bonds1

About 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile

2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile (PubChem CID 163362452) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile
PubChem CID163362452
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)N(C1CCC(O)NC1O)C2=O
InChIInChI=1S/C14H13N3O4/c15-6-7-1-2-8-9(5-7)14(21)17(13(8)20)10-3-4-11(18)16-12(10)19/h1-2,5,10-12,16,18-19H,3-4H2
InChIKeyYASRXSVTLGIKSF-UHFFFAOYSA-N
XLogP-0.46
TPSA113.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 163362453
5-(7-azaspiro[3.5]nonan-2-yl)-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione
CID 176705298
2-(2,6-dihydroxypiperidin-3-yl)-4-nitroisoindole-1,3-dione
CID 151015971
2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione
CID 176657173
1-oxo-2-sulfanyl-3H-isoindole-5-carbonitrile
CID 134582742
5-[3-[4-[2-[4-[(2-aminopyrimidin-4-yl)methoxy]phenyl]propan-2-yl]phenoxy]propylamino]-2-(2,6-dihydroxypiperidin-3-yl)isoindole-1,3-dione
CID 167437316
N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 26289841
5-ethyl-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
CID 143637983
2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 159442512
2-(2,6-dihydroxypiperidin-3-yl)-5-fluoro-3a,7a-dihydroisoindole-1,3-dione
CID 155671608
4-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)benzonitrile
CID 62105440
2-tert-butyl-1-oxo-3H-isoindole-5-carbonitrile
CID 154957532

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile?
The IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile (CID 163362452) is 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile.
What is the SMILES notation for 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile?
The canonical SMILES for 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile is N#Cc1ccc2c(c1)C(=O)N(C1CCC(O)NC1O)C2=O.
What is the InChIKey of 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile?
The InChIKey is YASRXSVTLGIKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-6-7-1-2-8-9(5-7)14(21)17(13(8)20)10-3-4-11(18)16-12(10)19/h1-2,5,10-12,16,18-19H,3-4H2.
What are the key properties of 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile?
2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile has a molecular weight of 287.28 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile is sourced from PubChem (CID 163362452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).