6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one

C12H17N3O — CID 73262487

IUPAC6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one
SMILESCC1CC(NCc2ccncc2)CC(=O)N1
InChIInChI=1S/C12H17N3O/c1-9-6-11(7-12(16)15-9)14-8-10-2-4-13-5-3-10/h2-5,9,11,14H,6-8H2,1H3,(H,15,16)
InChIKeyWJCADTGAFZFSAM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.84
Rot. Bonds3

About 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one

6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one (PubChem CID 73262487) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one
PubChem CID73262487
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one
SMILESCC1CC(NCc2ccncc2)CC(=O)N1
InChIInChI=1S/C12H17N3O/c1-9-6-11(7-12(16)15-9)14-8-10-2-4-13-5-3-10/h2-5,9,11,14H,6-8H2,1H3,(H,15,16)
InChIKeyWJCADTGAFZFSAM-UHFFFAOYSA-N
XLogP0.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one?
The IUPAC name of 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one (CID 73262487) is 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one?
The canonical SMILES for 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one is CC1CC(NCc2ccncc2)CC(=O)N1.
What is the InChIKey of 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one?
The InChIKey is WJCADTGAFZFSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-6-11(7-12(16)15-9)14-8-10-2-4-13-5-3-10/h2-5,9,11,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one?
6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(pyridin-4-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 73262487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).