[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

C28H29N3O3 — CID 55859064

About [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 55859064) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

• Compound Name: [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
• PubChem CID: 55859064
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
• SMILES: Cc1ccc(OC2CCN(C(=O)c3cccc(OCc4cn5ccccc5n4)c3)CC2)cc1C
• InChI: InChI=1S/C28H29N3O3/c1-20-9-10-26(16-21(20)2)34-24-11-14-30(15-12-24)28(32)22-6-5-7-25(17-22)33-19-23-18-31-13-4-3-8-27(31)29-23/h3-10,13,16-18,24H,11-12,14-15,19H2,1-2H3
• InChIKey: ALUIUSZAFARSJX-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 56.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The IUPAC name of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone (CID 55859064) is [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone.

What is the SMILES notation for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The canonical SMILES for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is Cc1ccc(OC2CCN(C(=O)c3cccc(OCc4cn5ccccc5n4)c3)CC2)cc1C.

What is the InChIKey of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

The InChIKey is ALUIUSZAFARSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20-9-10-26(16-21(20)2)34-24-11-14-30(15-12-24)28(32)22-6-5-7-25(17-22)33-19-23-18-31-13-4-3-8-27(31)29-23/h3-10,13,16-18,24H,11-12,14-15,19H2,1-2H3.

What are the key properties of [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone?

[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 455.56 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 55859064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).