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

C13H18N2O2 — CID 114040424

IUPAC6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10(2)15(9)13(17)11-7-4-8-12(16)14-11/h4,7-10H,3,5-6H2,1-2H3,(H,14,16)/t9-,10+
InChIKeySGYUSKIDTIWMHX-AOOOYVTPSA-N
MW234.30 g/mol
LogP1.78
Rot. Bonds1

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

6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 114040424) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID114040424
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H18N2O2/c1-9-5-3-6-10(2)15(9)13(17)11-7-4-8-12(16)14-11/h4,7-10H,3,5-6H2,1-2H3,(H,14,16)/t9-,10+
InChIKeySGYUSKIDTIWMHX-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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Related Compounds

6-[2-(aminomethyl)-6-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040275
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 114040378
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107036490
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 3149634
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 860108

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one (CID 114040424) is 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one is C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SGYUSKIDTIWMHX-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-3-6-10(2)15(9)13(17)11-7-4-8-12(16)14-11/h4,7-10H,3,5-6H2,1-2H3,(H,14,16)/t9-,10+.
What are the key properties of 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one?
6-[(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 6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 114040424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).