1-benzyl-3-methylidenepiperidine-2,6-dione

C13H13NO2 — CID 14335282

IUPAC1-benzyl-3-methylidenepiperidine-2,6-dione
SMILESC=C1CCC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-10-7-8-12(15)14(13(10)16)9-11-5-3-2-4-6-11/h2-6H,1,7-9H2
InChIKeyXKAYLHNDTZYVBJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.89
Rot. Bonds2

About 1-benzyl-3-methylidenepiperidine-2,6-dione

1-benzyl-3-methylidenepiperidine-2,6-dione (PubChem CID 14335282) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-benzyl-3-methylidenepiperidine-2,6-dione.

Molecular Properties

Compound Name1-benzyl-3-methylidenepiperidine-2,6-dione
PubChem CID14335282
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-benzyl-3-methylidenepiperidine-2,6-dione
SMILESC=C1CCC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H13NO2/c1-10-7-8-12(15)14(13(10)16)9-11-5-3-2-4-6-11/h2-6H,1,7-9H2
InChIKeyXKAYLHNDTZYVBJ-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-benzyl-3-methylidenepiperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-3-methylidene-4,5,6,7-tetrahydroisoindol-1-one
CID 11064491
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
CID 171688557
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 44817312
4-benzyl-2-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-3,5-dione
CID 90275116
1,5-dibenzyl-3,4-dihydropyridin-2-one
CID 24938872
benzyl-bis[(2,5-dioxopyrrolidin-1-yl)methyl]azanium
CID 4186806
1-benzyl-3-hydroxypyrrole-2,5-dione
CID 54733254
(3aS,7aR)-2-benzyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 795274
1-benzyl-3-(dimethylaminomethylidene)pyrrolidine-2,5-dione
CID 6611033
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
CID 126572991
6-amino-1-benzyl-8-fluoro-3,4-dihydroquinolin-2-one
CID 170748582

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methylidenepiperidine-2,6-dione?
The IUPAC name of 1-benzyl-3-methylidenepiperidine-2,6-dione (CID 14335282) is 1-benzyl-3-methylidenepiperidine-2,6-dione.
What is the SMILES notation for 1-benzyl-3-methylidenepiperidine-2,6-dione?
The canonical SMILES for 1-benzyl-3-methylidenepiperidine-2,6-dione is C=C1CCC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-methylidenepiperidine-2,6-dione?
The InChIKey is XKAYLHNDTZYVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-7-8-12(15)14(13(10)16)9-11-5-3-2-4-6-11/h2-6H,1,7-9H2.
What are the key properties of 1-benzyl-3-methylidenepiperidine-2,6-dione?
1-benzyl-3-methylidenepiperidine-2,6-dione has a molecular weight of 215.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methylidenepiperidine-2,6-dione is sourced from PubChem (CID 14335282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).