(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one

C24H39NO2 — CID 54360295

IUPAC(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one
SMILESCCCCCCCCCCCC[C@@H]1C[C@@H](Cc2ccccc2)CC(=O)N1O
InChIInChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-14-17-23-19-22(20-24(26)25(23)27)18-21-15-12-11-13-16-21/h11-13,15-16,22-23,27H,2-10,14,17-20H2,1H3/t22-,23-/m1/s1
InChIKeyUMATVDHQUZIRMD-DHIUTWEWSA-N
MW373.58 g/mol
LogP6.54
Rot. Bonds13

About (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one

(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one (PubChem CID 54360295) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one
PubChem CID54360295
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one
SMILESCCCCCCCCCCCC[C@@H]1C[C@@H](Cc2ccccc2)CC(=O)N1O
InChIInChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-14-17-23-19-22(20-24(26)25(23)27)18-21-15-12-11-13-16-21/h11-13,15-16,22-23,27H,2-10,14,17-20H2,1H3/t22-,23-/m1/s1
InChIKeyUMATVDHQUZIRMD-DHIUTWEWSA-N
XLogP6.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 56.54
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'}

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Related Compounds

(4S,6S)-1-hydroxy-6-octadecyl-4-phenylpiperidin-2-one
CID 67827026
(2S,3S,5R)-2-benzyl-5-heptyl-1-methylpyrrolidin-3-ol
CID 102367581
6-decyl-1-hydroxy-3-phenylpiperidin-2-one
CID 56985984
1-benzyl-5-heptylpyrrolidin-2-one
CID 71330928
4-benzyl-1-butylazetidin-2-one
CID 86190057
[(2S,3S,5R)-2-benzyl-1-methyl-5-nonylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 11362468
1-benzyl-5-pentylimidazolidin-2-one
CID 102031647
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
benzyl (2R,6S)-2-methyl-6-nonyl-4-oxopiperidine-1-carboxylate
CID 71613008
4-benzyl-2-butyl-2-methylsulfanylcyclopentan-1-one
CID 12861264
(3R)-4-benzyl-3-tetradecanoylpyrrolidin-2-one
CID 156771960
2-benzyl-1-octylaziridine
CID 102467094

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one?
The IUPAC name of (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one (CID 54360295) is (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one.
What is the SMILES notation for (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one?
The canonical SMILES for (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one is CCCCCCCCCCCC[C@@H]1C[C@@H](Cc2ccccc2)CC(=O)N1O.
What is the InChIKey of (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one?
The InChIKey is UMATVDHQUZIRMD-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H39NO2/c1-2-3-4-5-6-7-8-9-10-14-17-23-19-22(20-24(26)25(23)27)18-21-15-12-11-13-16-21/h11-13,15-16,22-23,27H,2-10,14,17-20H2,1H3/t22-,23-/m1/s1.
What are the key properties of (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one?
(4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one has a molecular weight of 373.58 g/mol, XLogP of 6.54, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4-benzyl-6-dodecyl-1-hydroxypiperidin-2-one is sourced from PubChem (CID 54360295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).