2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile

C14H15N3O3 — CID 163362453

IUPAC2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(C1CCC(O)NC1O)C2=O
InChIInChI=1S/C14H15N3O3/c15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19/h1-2,5,11-13,16,18-19H,3-4,7H2
InChIKeyZOCPEXXJLNMFPQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.10
Rot. Bonds1

About 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile

2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile (PubChem CID 163362453) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
PubChem CID163362453
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CN(C1CCC(O)NC1O)C2=O
InChIInChI=1S/C14H15N3O3/c15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19/h1-2,5,11-13,16,18-19H,3-4,7H2
InChIKeyZOCPEXXJLNMFPQ-UHFFFAOYSA-N
XLogP-0.10
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dihydroxypiperidin-3-yl)-1,3-dioxoisoindole-5-carbonitrile
CID 163362452
2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
CID 159442512
tert-butyl 4-[2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 171785570
1-oxo-2-sulfanyl-3H-isoindole-5-carbonitrile
CID 134582742
3-chloro-4-[1-[(1S,2S)-2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]benzonitrile
CID 167307196
tert-butyl 4-[1-[2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]piperazine-1-carboxylate
CID 171785548
2-tert-butyl-1-oxo-3H-isoindole-5-carbonitrile
CID 154957532
tert-butyl 3-(6-cyano-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylate
CID 138621851
tert-butyl (3S)-3-(6-cyano-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylate
CID 138621853
2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 146547624
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(methylsulfanylmethyl)-3H-isoindol-1-one
CID 166845794
4-[2-(1-ethylpiperidin-4-yl)-1-oxo-3H-isoindol-5-yl]benzonitrile
CID 25221204

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile?
The IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile (CID 163362453) is 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile.
What is the SMILES notation for 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile?
The canonical SMILES for 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile is N#Cc1ccc2c(c1)CN(C1CCC(O)NC1O)C2=O.
What is the InChIKey of 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile?
The InChIKey is ZOCPEXXJLNMFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19/h1-2,5,11-13,16,18-19H,3-4,7H2.
What are the key properties of 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile?
2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile has a molecular weight of 273.29 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxypiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile is sourced from PubChem (CID 163362453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).