6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one

C32H30N2O3 — CID 172630666

About 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one

6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one (PubChem CID 172630666) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one.

Molecular Properties

• Compound Name: 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
• PubChem CID: 172630666
• Molecular Formula: C32H30N2O3
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.23
• IUPAC Name: 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
• SMILES: O=C1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3)C2)C1
• InChI: InChI=1S/C32H30N2O3/c35-28-19-32(20-28)17-18-34(23-32)27-13-11-26(12-14-27)29-15-16-30(36-21-24-7-3-1-4-8-24)33-31(29)37-22-25-9-5-2-6-10-25/h1-16H,17-23H2
• InChIKey: PNELJTXLXQBCBU-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one?

The IUPAC name of 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one (CID 172630666) is 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one.

What is the SMILES notation for 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one?

The canonical SMILES for 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one is O=C1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3)C2)C1.

What is the InChIKey of 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one?

The InChIKey is PNELJTXLXQBCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O3/c35-28-19-32(20-28)17-18-34(23-32)27-13-11-26(12-14-27)29-15-16-30(36-21-24-7-3-1-4-8-24)33-31(29)37-22-25-9-5-2-6-10-25/h1-16H,17-23H2.

What are the key properties of 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one?

6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one has a molecular weight of 490.60 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one is sourced from PubChem (CID 172630666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).