[4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate

C30H28ClN3O5 — CID 11180334

About [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate

[4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 11180334) has the molecular formula C30H28ClN3O5 and a molecular weight of 546.02 g/mol. Its IUPAC name is [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate
• PubChem CID: 11180334
• Molecular Formula: C30H28ClN3O5
• Molecular Weight: 546.02 g/mol
• Exact Mass: 545.17
• IUPAC Name: [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate
• SMILES: Cc1ccc(Oc2ccc(OCC3CCN(C(=O)Oc4ccc(Oc5ccc(Cl)cn5)cc4)CC3)cc2)nc1
• InChI: InChI=1S/C30H28ClN3O5/c1-21-2-12-28(32-18-21)37-25-6-4-24(5-7-25)36-20-22-14-16-34(17-15-22)30(35)39-27-10-8-26(9-11-27)38-29-13-3-23(31)19-33-29/h2-13,18-19,22H,14-17,20H2,1H3
• InChIKey: CICGEUIQYOPRSQ-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 83.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.02
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate?

The IUPAC name of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate (CID 11180334) is [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate.

What is the SMILES notation for [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate?

The canonical SMILES for [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate is Cc1ccc(Oc2ccc(OCC3CCN(C(=O)Oc4ccc(Oc5ccc(Cl)cn5)cc4)CC3)cc2)nc1.

What is the InChIKey of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate?

The InChIKey is CICGEUIQYOPRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O5/c1-21-2-12-28(32-18-21)37-25-6-4-24(5-7-25)36-20-22-14-16-34(17-15-22)30(35)39-27-10-8-26(9-11-27)38-29-13-3-23(31)19-33-29/h2-13,18-19,22H,14-17,20H2,1H3.

What are the key properties of [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate?

[4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 546.02 g/mol, XLogP of 7.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-chloro-2-pyridinyl)oxy]phenyl] 4-[[4-[(5-methyl-2-pyridinyl)oxy]phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11180334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).