3-methyl-4-(1-phenylethyl)piperidine-2,6-dione

C14H17NO2 — CID 79317878

IUPAC3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1C(C)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(11-6-4-3-5-7-11)12-8-13(16)15-14(17)10(12)2/h3-7,9-10,12H,8H2,1-2H3,(H,15,16,17)
InChIKeyLKIUENRENAFNQG-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione

3-methyl-4-(1-phenylethyl)piperidine-2,6-dione (PubChem CID 79317878) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
PubChem CID79317878
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-methyl-4-(1-phenylethyl)piperidine-2,6-dione
SMILESCC1C(=O)NC(=O)CC1C(C)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(11-6-4-3-5-7-11)12-8-13(16)15-14(17)10(12)2/h3-7,9-10,12H,8H2,1-2H3,(H,15,16,17)
InChIKeyLKIUENRENAFNQG-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.09
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-ethyl-4-(1-phenylethyl)piperidine-2,6-dione
CID 79321359
3-benzhydryl-2-methylcyclobutan-1-one
CID 13283418
4-[4-(difluoromethyl)phenyl]-3-methylpiperidine-2,6-dione
CID 115525751
4-(2-phenylpropyl)piperidine-2,6-dione
CID 63156337
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
3-[1-(4-chlorophenyl)ethyl]pyrrolidine-2,5-dione
CID 67749051
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113
4-(1-phenylethyl)cyclopentane-1,3-dione
CID 58697779
4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione
CID 80547128
trans-(3R,5R)-3,5-dimethyl-2-(1-phenylethyl)cyclohexan-1-one
CID 14468495
[(1R,2S,3R)-1,2-dimethyl-3-[(1S)-1-phenylethyl]cyclopropyl]methanol
CID 126633580

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione?
The IUPAC name of 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione (CID 79317878) is 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione?
The canonical SMILES for 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione is CC1C(=O)NC(=O)CC1C(C)c1ccccc1.
What is the InChIKey of 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione?
The InChIKey is LKIUENRENAFNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(11-6-4-3-5-7-11)12-8-13(16)15-14(17)10(12)2/h3-7,9-10,12H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione?
3-methyl-4-(1-phenylethyl)piperidine-2,6-dione has a molecular weight of 231.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-phenylethyl)piperidine-2,6-dione is sourced from PubChem (CID 79317878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).