4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione

C17H23NO2 — CID 79437320

IUPAC4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC2(C)CC(C)C)c1
InChIInChI=1S/C17H23NO2/c1-11(2)9-17(4)10-14(19)18-16(20)15(17)13-7-5-6-12(3)8-13/h5-8,11,15H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyACVZALSAMFWQDU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.18
Rot. Bonds3

About 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione

4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79437320) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79437320
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC2(C)CC(C)C)c1
InChIInChI=1S/C17H23NO2/c1-11(2)9-17(4)10-14(19)18-16(20)15(17)13-7-5-6-12(3)8-13/h5-8,11,15H,9-10H2,1-4H3,(H,18,19,20)
InChIKeyACVZALSAMFWQDU-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
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-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione (CID 79437320) is 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione is Cc1cccc(C2C(=O)NC(=O)CC2(C)CC(C)C)c1.
What is the InChIKey of 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is ACVZALSAMFWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11(2)9-17(4)10-14(19)18-16(20)15(17)13-7-5-6-12(3)8-13/h5-8,11,15H,9-10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione?
4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 273.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79437320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).