2-methylisoindole-1,3-dione;piperidine

C14H18N2O2 — CID 153376535

IUPAC2-methylisoindole-1,3-dione;piperidine
SMILESC1CCNCC1.CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H7NO2.C5H11N/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-2-4-6-5-3-1/h2-5H,1H3;6H,1-5H2
InChIKeyRRJAZYNPWMQICR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds

About 2-methylisoindole-1,3-dione;piperidine

2-methylisoindole-1,3-dione;piperidine (PubChem CID 153376535) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methylisoindole-1,3-dione;piperidine.

Molecular Properties

Compound Name2-methylisoindole-1,3-dione;piperidine
PubChem CID153376535
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methylisoindole-1,3-dione;piperidine
SMILESC1CCNCC1.CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H7NO2.C5H11N/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-2-4-6-5-3-1/h2-5H,1H3;6H,1-5H2
InChIKeyRRJAZYNPWMQICR-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-methylisoindole-1,3-dione;pyridine
CID 174877202
ethane;2-methyl-1,3-dihydroisoindole;2-methylisoindole-1,3-dione;1-methylpyrrolidine
CID 158129896
2-methylbenzo[de]isoquinoline-1,3-dione;N-methylcyclohexanimine;2-methylisoindole-1,3-dione
CID 159617958
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
CID 43607537
2-methyl-3-phosphanylideneisoindol-1-one
CID 142838766
3-methylidene-2-(4-methylpiperidin-4-yl)isoindol-1-one
CID 114697546
2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
CID 70929216
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
2-diethylphosphanylisoindole-1,3-dione
CID 23341095
2-(2-piperidin-4-ylideneethyl)isoindole-1,3-dione
CID 18695517

Frequently Asked Questions

What is the IUPAC name of 2-methylisoindole-1,3-dione;piperidine?
The IUPAC name of 2-methylisoindole-1,3-dione;piperidine (CID 153376535) is 2-methylisoindole-1,3-dione;piperidine.
What is the SMILES notation for 2-methylisoindole-1,3-dione;piperidine?
The canonical SMILES for 2-methylisoindole-1,3-dione;piperidine is C1CCNCC1.CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methylisoindole-1,3-dione;piperidine?
The InChIKey is RRJAZYNPWMQICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C5H11N/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-2-4-6-5-3-1/h2-5H,1H3;6H,1-5H2.
What are the key properties of 2-methylisoindole-1,3-dione;piperidine?
2-methylisoindole-1,3-dione;piperidine has a molecular weight of 246.31 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoindole-1,3-dione;piperidine is sourced from PubChem (CID 153376535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).