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

C29H30N4O2 — CID 129456802

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

[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 129456802) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• PubChem CID: 129456802
• Molecular Formula: C29H30N4O2
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.24
• IUPAC Name: [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• SMILES: COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3Cn3ccnc3C)C2)n1
• InChI: InChI=1S/C29H30N4O2/c1-21-30-16-18-32(21)19-22-9-3-4-11-24(22)29(34)33-17-8-10-23(20-33)26-13-7-14-27(31-26)25-12-5-6-15-28(25)35-2/h3-7,9,11-16,18,23H,8,10,17,19-20H2,1-2H3/t23-/m0/s1
• InChIKey: MZZGPNQGOHSDOI-QHCPKHFHSA-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 [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The IUPAC name of [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (CID 129456802) is [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

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

The canonical SMILES for [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3Cn3ccnc3C)C2)n1.

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

The InChIKey is MZZGPNQGOHSDOI-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-21-30-16-18-32(21)19-22-9-3-4-11-24(22)29(34)33-17-8-10-23(20-33)26-13-7-14-27(31-26)25-12-5-6-15-28(25)35-2/h3-7,9,11-16,18,23H,8,10,17,19-20H2,1-2H3/t23-/m0/s1.

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

[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(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 [(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-[2-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 129456802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).