4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione

C17H23NO2 — CID 79321454

IUPAC4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione
SMILESCC(C)CCC1(C)CC(=O)NC(=O)C1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(2)9-10-17(3)11-14(19)18-16(20)15(17)13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyFCVJJOJOFXGBKB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.26
Rot. Bonds4

About 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione

4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione (PubChem CID 79321454) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione
PubChem CID79321454
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione
SMILESCC(C)CCC1(C)CC(=O)NC(=O)C1c1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(2)9-10-17(3)11-14(19)18-16(20)15(17)13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyFCVJJOJOFXGBKB-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
CID 79437320
4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
CID 79318435
3-(4-bromophenyl)-4-methyl-4-pentylpiperidine-2,6-dione
CID 80558885
3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79454418
3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79317625
3-(2-chlorophenyl)-4-methyl-4-propylpiperidine-2,6-dione
CID 79454345
4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
CID 80558882
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
6-phenyl-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79320778
4-methyl-4-(3-methylbutyl)azetidin-2-one
CID 64666195
4,4-bis(2-methylpropyl)-5-phenylpyrrolidin-2-one
CID 114868876
3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 79429755

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione?
The IUPAC name of 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione (CID 79321454) is 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione.
What is the SMILES notation for 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione?
The canonical SMILES for 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione is CC(C)CCC1(C)CC(=O)NC(=O)C1c1ccccc1.
What is the InChIKey of 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione?
The InChIKey is FCVJJOJOFXGBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)9-10-17(3)11-14(19)18-16(20)15(17)13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione?
4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione has a molecular weight of 273.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 79321454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).