[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

C30H32N4O — CID 129454897

About [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone

[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 129454897) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 129454897
• Molecular Formula: C30H32N4O
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.26
• IUPAC Name: [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccccc4Cn4ccnc4C)C3)n2)c1
• InChI: InChI=1S/C30H32N4O/c1-22-8-5-9-24(18-22)19-27-12-6-14-29(32-27)26-11-7-16-34(21-26)30(35)28-13-4-3-10-25(28)20-33-17-15-31-23(33)2/h3-6,8-10,12-15,17-18,26H,7,11,16,19-21H2,1-2H3/t26-/m1/s1
• InChIKey: GKYZSFAENAWLQI-AREMUKBSSA-N
• XLogP: 5.55
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone (CID 129454897) is [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)c4ccccc4Cn4ccnc4C)C3)n2)c1.

What is the InChIKey of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is GKYZSFAENAWLQI-AREMUKBSSA-N. The full InChI is InChI=1S/C30H32N4O/c1-22-8-5-9-24(18-22)19-27-12-6-14-29(32-27)26-11-7-16-34(21-26)30(35)28-13-4-3-10-25(28)20-33-17-15-31-23(33)2/h3-6,8-10,12-15,17-18,26H,7,11,16,19-21H2,1-2H3/t26-/m1/s1.

What are the key properties of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone?

[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 464.61 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 129454897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).