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

C17H23NO2 — CID 79317625

IUPAC3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1(C)CC(=O)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(2)10-17(3)11-15(19)18-16(20)14(17)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyAHCVNODERFSDBF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.94
Rot. Bonds4

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

3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79317625) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79317625
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1(C)CC(=O)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-12(2)10-17(3)11-15(19)18-16(20)14(17)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,19,20)
InChIKeyAHCVNODERFSDBF-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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

3-(2-fluorophenyl)-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione
CID 79454418
(3R)-2-benzyl-3-methyl-3-(2-methylpropyl)cyclohexan-1-one
CID 102201797
9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565591
9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
CID 79317706
3-benzyl-4-cyclopropyl-4-ethylpiperidine-2,6-dione
CID 79318412
4-methyl-3-(3-methylphenyl)-4-(2-methylpropyl)piperidine-2,6-dione
CID 79437320
4-methyl-4-(3-methylbutyl)-3-phenylpiperidine-2,6-dione
CID 79321454
4-[(4-fluorophenyl)methyl]-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 114835105
4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 79317410
4-methyl-4-(3-methylbutyl)-3-propylpiperidine-2,6-dione
CID 79318435
3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
CID 114867239
10,10-dimethyl-5-(2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79318355

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione (CID 79317625) is 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1(C)CC(=O)NC(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is AHCVNODERFSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)10-17(3)11-15(19)18-16(20)14(17)9-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione?
3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 273.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-4-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79317625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).