2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one

C16H20N2O4 — CID 146518003

IUPAC2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
SMILESCC(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1O)C2=O
InChIInChI=1S/C16H20N2O4/c1-9(2)22-11-3-4-12-10(7-11)8-18(16(12)21)13-5-6-14(19)17-15(13)20/h3-4,7,9,13,15,20H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyKYBLQVBXTAIFJV-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.03
Rot. Bonds3

About 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one

2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one (PubChem CID 146518003) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
PubChem CID146518003
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one
SMILESCC(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1O)C2=O
InChIInChI=1S/C16H20N2O4/c1-9(2)22-11-3-4-12-10(7-11)8-18(16(12)21)13-5-6-14(19)17-15(13)20/h3-4,7,9,13,15,20H,5-6,8H2,1-2H3,(H,17,19)
InChIKeyKYBLQVBXTAIFJV-UHFFFAOYSA-N
XLogP1.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one
CID 170102306
5-[5-(4-chlorophenyl)-1-methylpyrazol-4-yl]-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 174283336
N-[2-(2-hydroxy-6-oxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]carbamoyl iodide
CID 156528084
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
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-propan-2-yloxybenzenesulfonamide
CID 166426721
N-(2-cyclobutyloxypyrimidin-4-yl)-2-(2-hydroxy-6-oxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 176971917
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)-6-piperazin-1-yl-1H-pyrrolo[3,4-c]pyridin-3-one
CID 167241836
4-bromo-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 134359464
2-[(3S)-2-hydroxy-6-oxopiperidin-3-yl]-5-[4-[5-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]pentyl]piperazin-1-yl]-3H-isoindol-1-one
CID 154964175

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one?
The IUPAC name of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one (CID 146518003) is 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one?
The canonical SMILES for 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one is CC(C)Oc1ccc2c(c1)CN(C1CCC(=O)NC1O)C2=O.
What is the InChIKey of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one?
The InChIKey is KYBLQVBXTAIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9(2)22-11-3-4-12-10(7-11)8-18(16(12)21)13-5-6-14(19)17-15(13)20/h3-4,7,9,13,15,20H,5-6,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one?
2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one has a molecular weight of 304.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-propan-2-yloxy-3H-isoindol-1-one is sourced from PubChem (CID 146518003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).