(3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one

C19H35NO2 — CID 78320256

IUPAC(3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one
SMILESCCCCCCCCCCCC(=O)[C@@H]1C(=O)N[C@@H](C)C[C@H]1C
InChIInChI=1S/C19H35NO2/c1-4-5-6-7-8-9-10-11-12-13-17(21)18-15(2)14-16(3)20-19(18)22/h15-16,18H,4-14H2,1-3H3,(H,20,22)/t15-,16+,18-/m1/s1
InChIKeySOFLFFXISVCOAN-SOLBZPMBSA-N
MW309.49 g/mol
LogP4.64
Rot. Bonds11

About (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one

(3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one (PubChem CID 78320256) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one
PubChem CID78320256
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name(3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one
SMILESCCCCCCCCCCCC(=O)[C@@H]1C(=O)N[C@@H](C)C[C@H]1C
InChIInChI=1S/C19H35NO2/c1-4-5-6-7-8-9-10-11-12-13-17(21)18-15(2)14-16(3)20-19(18)22/h15-16,18H,4-14H2,1-3H3,(H,20,22)/t15-,16+,18-/m1/s1
InChIKeySOFLFFXISVCOAN-SOLBZPMBSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(2-methylcyclopropyl)hexan-1-one
CID 65420379
1-(4-methylpyrrolidin-3-yl)decan-1-one
CID 116572424
3-decanoylpiperidin-2-one
CID 23204992
3-nonanoylazepan-2-one
CID 21226503
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
CID 155467999
2-tridecanoylcyclopentan-1-one
CID 59066894
1-(8-azabicyclo[3.2.1]octan-3-yl)undecan-1-one
CID 171941682
(2S)-2,4-dimethyl-5-octanoyl-2,3-dihydro-1H-pyridin-6-one
CID 118589556
1-cyclobutyldodecan-1-one
CID 115811550

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one?
The IUPAC name of (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one (CID 78320256) is (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one.
What is the SMILES notation for (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one?
The canonical SMILES for (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one is CCCCCCCCCCCC(=O)[C@@H]1C(=O)N[C@@H](C)C[C@H]1C.
What is the InChIKey of (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one?
The InChIKey is SOFLFFXISVCOAN-SOLBZPMBSA-N. The full InChI is InChI=1S/C19H35NO2/c1-4-5-6-7-8-9-10-11-12-13-17(21)18-15(2)14-16(3)20-19(18)22/h15-16,18H,4-14H2,1-3H3,(H,20,22)/t15-,16+,18-/m1/s1.
What are the key properties of (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one?
(3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one has a molecular weight of 309.49 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-3-dodecanoyl-4,6-dimethylpiperidin-2-one is sourced from PubChem (CID 78320256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).