1-methyl-6-phenylpiperidine-2,4-dione

C12H13NO2 — CID 10035783

IUPAC1-methyl-6-phenylpiperidine-2,4-dione
SMILESCN1C(=O)CC(=O)CC1c1ccccc1
InChIInChI=1S/C12H13NO2/c1-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyDPFOIKQJWJYPJI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds1

About 1-methyl-6-phenylpiperidine-2,4-dione

1-methyl-6-phenylpiperidine-2,4-dione (PubChem CID 10035783) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-methyl-6-phenylpiperidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-phenylpiperidine-2,4-dione
PubChem CID10035783
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-methyl-6-phenylpiperidine-2,4-dione
SMILESCN1C(=O)CC(=O)CC1c1ccccc1
InChIInChI=1S/C12H13NO2/c1-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyDPFOIKQJWJYPJI-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenylpiperidine-2,4-dione?
The IUPAC name of 1-methyl-6-phenylpiperidine-2,4-dione (CID 10035783) is 1-methyl-6-phenylpiperidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-phenylpiperidine-2,4-dione?
The canonical SMILES for 1-methyl-6-phenylpiperidine-2,4-dione is CN1C(=O)CC(=O)CC1c1ccccc1.
What is the InChIKey of 1-methyl-6-phenylpiperidine-2,4-dione?
The InChIKey is DPFOIKQJWJYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-11(7-10(14)8-12(13)15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-methyl-6-phenylpiperidine-2,4-dione?
1-methyl-6-phenylpiperidine-2,4-dione has a molecular weight of 203.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenylpiperidine-2,4-dione is sourced from PubChem (CID 10035783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).