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

C29H30N4O2 — CID 129454027

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

[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 129454027) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• PubChem CID: 129454027
• Molecular Formula: C29H30N4O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.24
• IUPAC Name: [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• SMILES: COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccc(Cn4ccnc4C)c3)C2)n1
• InChI: InChI=1S/C29H30N4O2/c1-21-30-15-17-32(21)19-22-8-5-9-23(18-22)29(34)33-16-7-10-24(20-33)26-12-6-13-27(31-26)25-11-3-4-14-28(25)35-2/h3-6,8-9,11-15,17-18,24H,7,10,16,19-20H2,1-2H3/t24-/m1/s1
• InChIKey: CNXBGTMZLPATEA-XMMPIXPASA-N
• XLogP: 5.33
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (CID 129454027) is [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

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

The canonical SMILES for [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccc(Cn4ccnc4C)c3)C2)n1.

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

The InChIKey is CNXBGTMZLPATEA-XMMPIXPASA-N. The full InChI is InChI=1S/C29H30N4O2/c1-21-30-15-17-32(21)19-22-8-5-9-23(18-22)29(34)33-16-7-10-24(20-33)26-12-6-13-27(31-26)25-11-3-4-14-28(25)35-2/h3-6,8-9,11-15,17-18,24H,7,10,16,19-20H2,1-2H3/t24-/m1/s1.

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

[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 466.59 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 129454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).