4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one

C14H16N2O2 — CID 139448254

IUPAC4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESCc1cccc2c1CN(C1CCC(=O)NC1)C2=O
InChIInChI=1S/C14H16N2O2/c1-9-3-2-4-11-12(9)8-16(14(11)18)10-5-6-13(17)15-7-10/h2-4,10H,5-8H2,1H3,(H,15,17)
InChIKeyJSLBFHQKDSPZNR-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.23
Rot. Bonds1

About 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one

4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one (PubChem CID 139448254) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
PubChem CID139448254
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
SMILESCc1cccc2c1CN(C1CCC(=O)NC1)C2=O
InChIInChI=1S/C14H16N2O2/c1-9-3-2-4-11-12(9)8-16(14(11)18)10-5-6-13(17)15-7-10/h2-4,10H,5-8H2,1H3,(H,15,17)
InChIKeyJSLBFHQKDSPZNR-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide
CID 175145574
2-(6-oxopiperidin-3-yl)-5-phenyl-3H-isoindol-1-one
CID 168875078
3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione
CID 91182909
5-(4-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-2-one
CID 114041584
4-fluoro-2-[(3R)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 86276896
3-[7-[(2-methylphenyl)methylsulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155562885
3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
4-bromo-2-(2-hydroxy-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 134359464
4-cyclopentyl-9-methyl-3H-1,4-benzothiazepine-2,5-dione
CID 20526462
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
5-(4-amino-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidin-2-one
CID 142893273

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one (CID 139448254) is 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one is Cc1cccc2c1CN(C1CCC(=O)NC1)C2=O.
What is the InChIKey of 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one?
The InChIKey is JSLBFHQKDSPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-3-2-4-11-12(9)8-16(14(11)18)10-5-6-13(17)15-7-10/h2-4,10H,5-8H2,1H3,(H,15,17).
What are the key properties of 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one?
4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one has a molecular weight of 244.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 139448254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).