3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one

C15H18N2O — CID 114697546

IUPAC3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1(C)CCNCC1
InChIInChI=1S/C15H18N2O/c1-11-12-5-3-4-6-13(12)14(18)17(11)15(2)7-9-16-10-8-15/h3-6,16H,1,7-10H2,2H3
InChIKeyULENUWORHHWXSF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.26
Rot. Bonds1

About 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one

3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one (PubChem CID 114697546) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one.

Molecular Properties

Compound Name3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
PubChem CID114697546
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1C1(C)CCNCC1
InChIInChI=1S/C15H18N2O/c1-11-12-5-3-4-6-13(12)14(18)17(11)15(2)7-9-16-10-8-15/h3-6,16H,1,7-10H2,2H3
InChIKeyULENUWORHHWXSF-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
CID 103430987
3-methyl-1-(4-methylpiperidin-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 114697465
2-methylisoindole-1,3-dione;piperidine
CID 153376535
4,4-dimethyl-1-(4-methylpiperidin-4-yl)piperidine-2,6-dione
CID 114697504
2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 130706522
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
2-(3-fluoro-5,7-dimethyl-1-adamantyl)isoindole-1,3-dione
CID 129270305
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 15168083
2-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylideneisoindol-1-one
CID 114631704
1-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 82762983

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one?
The IUPAC name of 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one (CID 114697546) is 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one.
What is the SMILES notation for 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one?
The canonical SMILES for 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one is C=C1c2ccccc2C(=O)N1C1(C)CCNCC1.
What is the InChIKey of 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one?
The InChIKey is ULENUWORHHWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-12-5-3-4-6-13(12)14(18)17(11)15(2)7-9-16-10-8-15/h3-6,16H,1,7-10H2,2H3.
What are the key properties of 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one?
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one is sourced from PubChem (CID 114697546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).