1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

C18H25N5O — CID 125162266

About 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone

1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 125162266) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
• PubChem CID: 125162266
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
• SMILES: CN(CC(=O)N1CCC[C@@H](c2nccn2C)C1)Cc1ccccn1
• InChI: InChI=1S/C18H25N5O/c1-21(13-16-7-3-4-8-19-16)14-17(24)23-10-5-6-15(12-23)18-20-9-11-22(18)2/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3/t15-/m1/s1
• InChIKey: HMBQXSAPDSAZFF-OAHLLOKOSA-N
• XLogP: 1.65
• TPSA: 54.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?

The IUPAC name of 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (CID 125162266) is 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

What is the SMILES notation for 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?

The canonical SMILES for 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is CN(CC(=O)N1CCC[C@@H](c2nccn2C)C1)Cc1ccccn1.

What is the InChIKey of 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?

The InChIKey is HMBQXSAPDSAZFF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21(13-16-7-3-4-8-19-16)14-17(24)23-10-5-6-15(12-23)18-20-9-11-22(18)2/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3/t15-/m1/s1.

What are the key properties of 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?

1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 327.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 125162266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).