(2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one

C20H37NO2 — CID 24865900

IUPAC(2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one
SMILESCC(=O)CCCCCCCCCCCC[C@H]1CCC(=O)[C@@H](C)N1
InChIInChI=1S/C20H37NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-19,21H,3-16H2,1-2H3/t18-,19+/m1/s1
InChIKeyVQHQDAAWFVGOFT-MOPGFXCFSA-N
MW323.52 g/mol
LogP4.97
Rot. Bonds13

About (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one

(2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one (PubChem CID 24865900) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one
PubChem CID24865900
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name(2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one
SMILESCC(=O)CCCCCCCCCCCC[C@H]1CCC(=O)[C@@H](C)N1
InChIInChI=1S/C20H37NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-19,21H,3-16H2,1-2H3/t18-,19+/m1/s1
InChIKeyVQHQDAAWFVGOFT-MOPGFXCFSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one?
The IUPAC name of (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one (CID 24865900) is (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one.
What is the SMILES notation for (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one?
The canonical SMILES for (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one is CC(=O)CCCCCCCCCCCC[C@H]1CCC(=O)[C@@H](C)N1.
What is the InChIKey of (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one?
The InChIKey is VQHQDAAWFVGOFT-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H37NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-19,21H,3-16H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one?
(2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one has a molecular weight of 323.52 g/mol, XLogP of 4.97, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-one is sourced from PubChem (CID 24865900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).