5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one

C12H18N2O2 — CID 42281627

IUPAC5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCCCC2)cc1=O
InChIInChI=1S/C12H18N2O2/c1-16-12-8-13-10(7-11(12)15)9-14-5-3-2-4-6-14/h7-8H,2-6,9H2,1H3,(H,13,15)
InChIKeyHQCOICMNKVRAMU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds3

About 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one

5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one (PubChem CID 42281627) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one
PubChem CID42281627
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCCCC2)cc1=O
InChIInChI=1S/C12H18N2O2/c1-16-12-8-13-10(7-11(12)15)9-14-5-3-2-4-6-14/h7-8H,2-6,9H2,1H3,(H,13,15)
InChIKeyHQCOICMNKVRAMU-UHFFFAOYSA-N
XLogP1.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one (CID 42281627) is 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one is COc1c[nH]c(CN2CCCCC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one?
The InChIKey is HQCOICMNKVRAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12-8-13-10(7-11(12)15)9-14-5-3-2-4-6-14/h7-8H,2-6,9H2,1H3,(H,13,15).
What are the key properties of 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one?
5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperidin-1-ylmethyl)-1H-pyridin-4-one is sourced from PubChem (CID 42281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).