2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one

C13H14N2O3 — CID 146547624

IUPAC2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
SMILESO=C1CC[C@@H](N2Cc3ccccc3C2=O)C(O)N1
InChIInChI=1S/C13H14N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10,12,17H,5-7H2,(H,14,16)/t10-,12?/m1/s1
InChIKeyICFXLNXSCLYYTF-RWANSRKNSA-N
MW246.27 g/mol
LogP0.24
Rot. Bonds1

About 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one

2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one (PubChem CID 146547624) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
PubChem CID146547624
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one
SMILESO=C1CC[C@@H](N2Cc3ccccc3C2=O)C(O)N1
InChIInChI=1S/C13H14N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10,12,17H,5-7H2,(H,14,16)/t10-,12?/m1/s1
InChIKeyICFXLNXSCLYYTF-RWANSRKNSA-N
XLogP0.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 134359464
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(methylsulfanylmethyl)-3H-isoindol-1-one
CID 166845794
N-[2-(2-hydroxy-6-oxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]carbamoyl iodide
CID 156528084
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
CID 146518003
2-(2-hydroxy-6-oxopiperidin-3-yl)-4-nitro-3H-isoindol-1-one
CID 154548409
4-chloro-2-[(3S)-2-hydroxy-7-oxoazepan-3-yl]-3H-isoindol-1-one
CID 163626176
5-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 174283336
2-(2-hydroxy-6-oxopiperidin-3-yl)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 167241836
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-(1-methyl-5-quinoxalin-6-ylpyrazol-4-yl)-3H-isoindol-1-one
CID 171075744
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one
CID 170102306
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
CID 11849900

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one (CID 146547624) is 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one is O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(O)N1.
What is the InChIKey of 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one?
The InChIKey is ICFXLNXSCLYYTF-RWANSRKNSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18/h1-4,10,12,17H,5-7H2,(H,14,16)/t10-,12?/m1/s1.
What are the key properties of 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one?
2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one has a molecular weight of 246.27 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-hydroxy-6-oxopiperidin-3-yl]-3H-isoindol-1-one is sourced from PubChem (CID 146547624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).