1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

C22H25ClN2O4 — CID 71798806

About 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (PubChem CID 71798806) has the molecular formula C22H25ClN2O4 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
• PubChem CID: 71798806
• Molecular Formula: C22H25ClN2O4
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.15
• IUPAC Name: 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
• SMILES: CC1(C)Cc2cccc(OCC(=O)N3CCC(Oc4ncccc4Cl)CC3)c2O1
• InChI: InChI=1S/C22H25ClN2O4/c1-22(2)13-15-5-3-7-18(20(15)29-22)27-14-19(26)25-11-8-16(9-12-25)28-21-17(23)6-4-10-24-21/h3-7,10,16H,8-9,11-14H2,1-2H3
• InChIKey: AQPNAMNKHIIBII-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 60.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

The IUPAC name of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone (CID 71798806) is 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone.

What is the SMILES notation for 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

The canonical SMILES for 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is CC1(C)Cc2cccc(OCC(=O)N3CCC(Oc4ncccc4Cl)CC3)c2O1.

What is the InChIKey of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

The InChIKey is AQPNAMNKHIIBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4/c1-22(2)13-15-5-3-7-18(20(15)29-22)27-14-19(26)25-11-8-16(9-12-25)28-21-17(23)6-4-10-24-21/h3-7,10,16H,8-9,11-14H2,1-2H3.

What are the key properties of 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone?

1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone has a molecular weight of 416.91 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone is sourced from PubChem (CID 71798806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).