1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one

C13H19N3O — CID 79267253

IUPAC1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
SMILESCc1cccc(CNC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H19N3O/c1-10-4-3-5-11(15-10)8-14-12-6-7-13(17)16(2)9-12/h3-5,12,14H,6-9H2,1-2H3
InChIKeyWAFLCIBWOBYVAR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.10
Rot. Bonds3

About 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one

1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one (PubChem CID 79267253) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
PubChem CID79267253
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one
SMILESCc1cccc(CNC2CCC(=O)N(C)C2)n1
InChIInChI=1S/C13H19N3O/c1-10-4-3-5-11(15-10)8-14-12-6-7-13(17)16(2)9-12/h3-5,12,14H,6-9H2,1-2H3
InChIKeyWAFLCIBWOBYVAR-UHFFFAOYSA-N
XLogP1.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one (CID 79267253) is 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one is Cc1cccc(CNC2CCC(=O)N(C)C2)n1.
What is the InChIKey of 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one?
The InChIKey is WAFLCIBWOBYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-4-3-5-11(15-10)8-14-12-6-7-13(17)16(2)9-12/h3-5,12,14H,6-9H2,1-2H3.
What are the key properties of 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one?
1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(6-methyl-2-pyridinyl)methylamino]piperidin-2-one is sourced from PubChem (CID 79267253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).