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

C14H20N2O2 — CID 79406431

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
SMILESCOc1ccc(CN2CCC(=O)C(C)C2C)cn1
InChIInChI=1S/C14H20N2O2/c1-10-11(2)16(7-6-13(10)17)9-12-4-5-14(18-3)15-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyPPWPZNQRAXURCZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.89
Rot. Bonds3

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

1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one (PubChem CID 79406431) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
PubChem CID79406431
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
SMILESCOc1ccc(CN2CCC(=O)C(C)C2C)cn1
InChIInChI=1S/C14H20N2O2/c1-10-11(2)16(7-6-13(10)17)9-12-4-5-14(18-3)15-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyPPWPZNQRAXURCZ-UHFFFAOYSA-N
XLogP1.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one (CID 79406431) is 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one is COc1ccc(CN2CCC(=O)C(C)C2C)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is PPWPZNQRAXURCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-11(2)16(7-6-13(10)17)9-12-4-5-14(18-3)15-8-12/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one?
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79406431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).