1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one

C13H18N2O2 — CID 82892859

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one
SMILESCOc1cc(C)nc(CN2CCCC(=O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-10-6-13(17-2)7-11(14-10)8-15-5-3-4-12(16)9-15/h6-7H,3-5,8-9H2,1-2H3
InChIKeyZIQYOCWRZKZPMS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds3

About 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one (PubChem CID 82892859) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one
PubChem CID82892859
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one
SMILESCOc1cc(C)nc(CN2CCCC(=O)C2)c1
InChIInChI=1S/C13H18N2O2/c1-10-6-13(17-2)7-11(14-10)8-15-5-3-4-12(16)9-15/h6-7H,3-5,8-9H2,1-2H3
InChIKeyZIQYOCWRZKZPMS-UHFFFAOYSA-N
XLogP1.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
CID 82893576
4-methoxy-2-methyl-6-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]pyridine
CID 82886408
1-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 82891992
5-bromo-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrole-3-carboxylic acid
CID 82893481
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carbaldehyde
CID 82896519
4-methoxy-2-methyl-6-(pyrrol-1-ylmethyl)pyridine
CID 82896081
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 82888686
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499067
2-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]-4-methoxy-6-methylpyridine
CID 82895985
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-4-methoxy-6-methylpyridine
CID 114800491
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906859

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one (CID 82892859) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one is COc1cc(C)nc(CN2CCCC(=O)C2)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one?
The InChIKey is ZIQYOCWRZKZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-6-13(17-2)7-11(14-10)8-15-5-3-4-12(16)9-15/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one has a molecular weight of 234.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-one is sourced from PubChem (CID 82892859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).