[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H24N4O3 — CID 72841956

About [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72841956) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 72841956
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: COCc1ccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)o1
• InChI: InChI=1S/C21H24N4O3/c1-27-15-18-2-3-19(28-18)21(26)24-11-6-17(7-12-24)20-23-10-13-25(20)14-16-4-8-22-9-5-16/h2-5,8-10,13,17H,6-7,11-12,14-15H2,1H3
• InChIKey: ZREFEHREPNGGNW-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72841956) is [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)o1.

What is the InChIKey of [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is ZREFEHREPNGGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-15-18-2-3-19(28-18)21(26)24-11-6-17(7-12-24)20-23-10-13-25(20)14-16-4-8-22-9-5-16/h2-5,8-10,13,17H,6-7,11-12,14-15H2,1H3.

What are the key properties of [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72841956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).