3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one

C12H18N2O — CID 63172200

IUPAC3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCc1cccn(CC2CCNCC2)c1=O
InChIInChI=1S/C12H18N2O/c1-10-3-2-8-14(12(10)15)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9H2,1H3
InChIKeyHOXDFABEMZPVQQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.16
Rot. Bonds2

About 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one

3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one (PubChem CID 63172200) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
PubChem CID63172200
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
SMILESCc1cccn(CC2CCNCC2)c1=O
InChIInChI=1S/C12H18N2O/c1-10-3-2-8-14(12(10)15)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9H2,1H3
InChIKeyHOXDFABEMZPVQQ-UHFFFAOYSA-N
XLogP1.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one (CID 63172200) is 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one is Cc1cccn(CC2CCNCC2)c1=O.
What is the InChIKey of 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
The InChIKey is HOXDFABEMZPVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-3-2-8-14(12(10)15)9-11-4-6-13-7-5-11/h2-3,8,11,13H,4-7,9H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one?
3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 63172200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).