3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine

C18H26N2O2 — CID 170737745

IUPAC3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine
SMILESCC1(c2ccccc2)CCC(=O)NC1=O.CC1CCCCN1
InChIInChI=1S/C12H13NO2.C6H13N/c1-12(9-5-3-2-4-6-9)8-7-10(14)13-11(12)15;1-6-4-2-3-5-7-6/h2-6H,7-8H2,1H3,(H,13,14,15);6-7H,2-5H2,1H3
InChIKeyAEKRZJRAOKTMNR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.53
Rot. Bonds1

About 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine

3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine (PubChem CID 170737745) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine.

Molecular Properties

Compound Name3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine
PubChem CID170737745
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine
SMILESCC1(c2ccccc2)CCC(=O)NC1=O.CC1CCCCN1
InChIInChI=1S/C12H13NO2.C6H13N/c1-12(9-5-3-2-4-6-9)8-7-10(14)13-11(12)15;1-6-4-2-3-5-7-6/h2-6H,7-8H2,1H3,(H,13,14,15);6-7H,2-5H2,1H3
InChIKeyAEKRZJRAOKTMNR-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine?
The IUPAC name of 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine (CID 170737745) is 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine.
What is the SMILES notation for 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine?
The canonical SMILES for 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine is CC1(c2ccccc2)CCC(=O)NC1=O.CC1CCCCN1.
What is the InChIKey of 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine?
The InChIKey is AEKRZJRAOKTMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C6H13N/c1-12(9-5-3-2-4-6-9)8-7-10(14)13-11(12)15;1-6-4-2-3-5-7-6/h2-6H,7-8H2,1H3,(H,13,14,15);6-7H,2-5H2,1H3.
What are the key properties of 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine?
3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine has a molecular weight of 302.42 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylpiperidine-2,6-dione;2-methylpiperidine is sourced from PubChem (CID 170737745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).