[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C27H27N5O2 — CID 129454205

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

[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 129454205) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
• PubChem CID: 129454205
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1
• InChI: InChI=1S/C27H27N5O2/c1-20-28-15-17-31(20)18-21-8-5-6-12-24(21)27(33)32-16-7-9-22(19-32)25-26(30-14-13-29-25)34-23-10-3-2-4-11-23/h2-6,8,10-15,17,22H,7,9,16,18-19H2,1H3/t22-/m0/s1
• InChIKey: DCIZMTHPJCJNMT-QFIPXVFZSA-N
• XLogP: 4.84
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 129454205) is [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1.

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

The InChIKey is DCIZMTHPJCJNMT-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-20-28-15-17-31(20)18-21-8-5-6-12-24(21)27(33)32-16-7-9-22(19-32)25-26(30-14-13-29-25)34-23-10-3-2-4-11-23/h2-6,8,10-15,17,22H,7,9,16,18-19H2,1H3/t22-/m0/s1.

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

[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 453.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129454205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).