2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C18H25N5O — CID 127246429

About 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 127246429) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
• PubChem CID: 127246429
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
• SMILES: Cc1cccc(CC2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1
• InChI: InChI=1S/C18H25N5O/c1-14-6-4-8-16(21-14)10-15-7-5-9-22(11-15)17(24)18(2,3)23-13-19-12-20-23/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3
• InChIKey: QGEKPIOENFOZOS-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

The IUPAC name of 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 127246429) is 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

What is the SMILES notation for 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

The canonical SMILES for 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is Cc1cccc(CC2CCCN(C(=O)C(C)(C)n3cncn3)C2)n1.

What is the InChIKey of 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

The InChIKey is QGEKPIOENFOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-6-4-8-16(21-14)10-15-7-5-9-22(11-15)17(24)18(2,3)23-13-19-12-20-23/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3.

What are the key properties of 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 127246429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).