4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

C34H34NO7- — CID 22128032

About 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 22128032) has the molecular formula C34H34NO7- and a molecular weight of 568.65 g/mol. Its IUPAC name is 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
• PubChem CID: 22128032
• Molecular Formula: C34H34NO7-
• Molecular Weight: 568.65 g/mol
• Exact Mass: 568.23
• IUPAC Name: 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
• SMILES: COC(C(=O)OCCOc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1)c1ccccc1
• InChI: InChI=1S/C34H35NO7/c1-39-32(27-8-3-2-4-9-27)33(36)41-20-19-40-29-15-13-26(14-16-29)30-17-18-35(34(37)38)22-31(30)42-23-24-11-12-25-7-5-6-10-28(25)21-24/h2-16,21,30-32H,17-20,22-23H2,1H3,(H,37,38)/p-1
• InChIKey: RRBZIXCLHTZEOG-UHFFFAOYSA-M
• XLogP: 4.87
• TPSA: 97.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.65
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?

The IUPAC name of 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (CID 22128032) is 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.

What is the SMILES notation for 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?

The canonical SMILES for 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is COC(C(=O)OCCOc1ccc(C2CCN(C(=O)[O-])CC2OCc2ccc3ccccc3c2)cc1)c1ccccc1.

What is the InChIKey of 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?

The InChIKey is RRBZIXCLHTZEOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H35NO7/c1-39-32(27-8-3-2-4-9-27)33(36)41-20-19-40-29-15-13-26(14-16-29)30-17-18-35(34(37)38)22-31(30)42-23-24-11-12-25-7-5-6-10-28(25)21-24/h2-16,21,30-32H,17-20,22-23H2,1H3,(H,37,38)/p-1.

What are the key properties of 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?

4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 568.65 g/mol, XLogP of 4.87, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 22128032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).