6-decyl-1-hydroxy-3-phenylpiperidin-2-one

C21H33NO2 — CID 56985984

IUPAC6-decyl-1-hydroxy-3-phenylpiperidin-2-one
SMILESCCCCCCCCCCC1CCC(c2ccccc2)C(=O)N1O
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-12-15-19-16-17-20(21(23)22(19)24)18-13-10-9-11-14-18/h9-11,13-14,19-20,24H,2-8,12,15-17H2,1H3
InChIKeyAGLIRMLKQWXQTQ-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.68
Rot. Bonds10

About 6-decyl-1-hydroxy-3-phenylpiperidin-2-one

6-decyl-1-hydroxy-3-phenylpiperidin-2-one (PubChem CID 56985984) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 6-decyl-1-hydroxy-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name6-decyl-1-hydroxy-3-phenylpiperidin-2-one
PubChem CID56985984
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name6-decyl-1-hydroxy-3-phenylpiperidin-2-one
SMILESCCCCCCCCCCC1CCC(c2ccccc2)C(=O)N1O
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-12-15-19-16-17-20(21(23)22(19)24)18-13-10-9-11-14-18/h9-11,13-14,19-20,24H,2-8,12,15-17H2,1H3
InChIKeyAGLIRMLKQWXQTQ-UHFFFAOYSA-N
XLogP5.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-decyl-1-hydroxy-3-phenylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,6S)-1-hydroxy-6-octadecyl-4-phenylpiperidin-2-one
CID 67827026
(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one
CID 54360295
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
2-octyl-4-phenylcyclohexan-1-ol
CID 63461451
(3R,5S,8aR)-5-pentyl-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine
CID 10636009
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
CID 58821955
(3R)-1-acetyl-3-phenylpyrrolidin-2-one
CID 6991154
1-benzyl-5-pentylimidazolidin-2-one
CID 102031647
3-dodecyl-1-hydroxy-4-phenylpyrrolidin-2-ol
CID 67855090
4-hexyl-2-hydroxy-4H-isoquinoline-1,3-dione
CID 51041923

Frequently Asked Questions

What is the IUPAC name of 6-decyl-1-hydroxy-3-phenylpiperidin-2-one?
The IUPAC name of 6-decyl-1-hydroxy-3-phenylpiperidin-2-one (CID 56985984) is 6-decyl-1-hydroxy-3-phenylpiperidin-2-one.
What is the SMILES notation for 6-decyl-1-hydroxy-3-phenylpiperidin-2-one?
The canonical SMILES for 6-decyl-1-hydroxy-3-phenylpiperidin-2-one is CCCCCCCCCCC1CCC(c2ccccc2)C(=O)N1O.
What is the InChIKey of 6-decyl-1-hydroxy-3-phenylpiperidin-2-one?
The InChIKey is AGLIRMLKQWXQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-12-15-19-16-17-20(21(23)22(19)24)18-13-10-9-11-14-18/h9-11,13-14,19-20,24H,2-8,12,15-17H2,1H3.
What are the key properties of 6-decyl-1-hydroxy-3-phenylpiperidin-2-one?
6-decyl-1-hydroxy-3-phenylpiperidin-2-one has a molecular weight of 331.50 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-1-hydroxy-3-phenylpiperidin-2-one is sourced from PubChem (CID 56985984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).