5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one

C13H18N2O2 — CID 28942575

IUPAC5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)15(9)13(17)11-6-7-12(16)14-8-11/h6-10H,3-5H2,1-2H3,(H,14,16)/t9-,10+
InChIKeyGRSZKSKMTVJDOJ-AOOOYVTPSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds1

About 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one

5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 28942575) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID28942575
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)15(9)13(17)11-6-7-12(16)14-8-11/h6-10H,3-5H2,1-2H3,(H,14,16)/t9-,10+
InChIKeyGRSZKSKMTVJDOJ-AOOOYVTPSA-N
XLogP1.78
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one (CID 28942575) is 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one is C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GRSZKSKMTVJDOJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-3-5-10(2)15(9)13(17)11-6-7-12(16)14-8-11/h6-10H,3-5H2,1-2H3,(H,14,16)/t9-,10+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 28942575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).