4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione

C15H19NO2 — CID 4001498

IUPAC4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccc(C(C)C)cc2)C(=O)C1
InChIInChI=1S/C15H19NO2/c1-10(2)12-4-6-13(7-5-12)16-14(17)8-11(3)9-15(16)18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYQSXTURKDVCTRW-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione

4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione (PubChem CID 4001498) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione
PubChem CID4001498
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione
SMILESCC1CC(=O)N(c2ccc(C(C)C)cc2)C(=O)C1
InChIInChI=1S/C15H19NO2/c1-10(2)12-4-6-13(7-5-12)16-14(17)8-11(3)9-15(16)18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYQSXTURKDVCTRW-UHFFFAOYSA-N
XLogP3.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione?
The IUPAC name of 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione (CID 4001498) is 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione is CC1CC(=O)N(c2ccc(C(C)C)cc2)C(=O)C1.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione?
The InChIKey is YQSXTURKDVCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(2)12-4-6-13(7-5-12)16-14(17)8-11(3)9-15(16)18/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione?
4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione has a molecular weight of 245.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylphenyl)piperidine-2,6-dione is sourced from PubChem (CID 4001498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).