[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

C29H30N4O — CID 129453675

About [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 129453675) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• PubChem CID: 129453675
• Molecular Formula: C29H30N4O
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.24
• IUPAC Name: [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• SMILES: Cc1nccn1Cc1ccccc1C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1
• InChI: InChI=1S/C29H30N4O/c1-22-30-16-19-33(22)21-25-10-5-6-12-27(25)29(34)32-17-14-24(15-18-32)28-13-7-11-26(31-28)20-23-8-3-2-4-9-23/h2-13,16,19,24H,14-15,17-18,20-21H2,1H3
• InChIKey: BKRPVFNPGYKAMY-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The IUPAC name of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (CID 129453675) is [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

What is the SMILES notation for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The canonical SMILES for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is Cc1nccn1Cc1ccccc1C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1.

What is the InChIKey of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The InChIKey is BKRPVFNPGYKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-22-30-16-19-33(22)21-25-10-5-6-12-27(25)29(34)32-17-14-24(15-18-32)28-13-7-11-26(31-28)20-23-8-3-2-4-9-23/h2-13,16,19,24H,14-15,17-18,20-21H2,1H3.

What are the key properties of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 450.59 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 129453675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).