4-phenyl-3-propan-2-ylpiperidine-2,6-dione

C14H17NO2 — CID 79321338

IUPAC4-phenyl-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(2)13-11(8-12(16)15-14(13)17)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,15,16,17)
InChIKeyGLNUCSRNCAHHSW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.09
Rot. Bonds2

About 4-phenyl-3-propan-2-ylpiperidine-2,6-dione

4-phenyl-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79321338) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-phenyl-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-phenyl-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79321338
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-phenyl-3-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1C(=O)NC(=O)CC1c1ccccc1
InChIInChI=1S/C14H17NO2/c1-9(2)13-11(8-12(16)15-14(13)17)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,15,16,17)
InChIKeyGLNUCSRNCAHHSW-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

4-(4-tert-butylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310088
4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660
4-(4-ethylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320168
3-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidine-2,6-dione
CID 79310291
4-(3,4-dichlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320854
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429
4-(3,5-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 106534521
4-(2,6-difluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320367
4-(3,5-dimethoxyphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79310299
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
4-(4-methoxy-3-methylphenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320166
4-(3-chloro-5-fluorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 114455063

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-phenyl-3-propan-2-ylpiperidine-2,6-dione (CID 79321338) is 4-phenyl-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-phenyl-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-phenyl-3-propan-2-ylpiperidine-2,6-dione is CC(C)C1C(=O)NC(=O)CC1c1ccccc1.
What is the InChIKey of 4-phenyl-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is GLNUCSRNCAHHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)13-11(8-12(16)15-14(13)17)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-phenyl-3-propan-2-ylpiperidine-2,6-dione?
4-phenyl-3-propan-2-ylpiperidine-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 4-phenyl-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79321338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).