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

C32H30N2O3 — CID 172630666

IUPAC6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
SMILESO=C1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3)C2)C1
InChIInChI=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
InChIKeyPNELJTXLXQBCBU-UHFFFAOYSA-N
MW490.60 g/mol
LogP6.47
Rot. Bonds8

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 Name6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
PubChem CID172630666
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
SMILESO=C1CC2(CCN(c3ccc(-c4ccc(OCc5ccccc5)nc4OCc4ccccc4)cc3)C2)C1
InChIInChI=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
InChIKeyPNELJTXLXQBCBU-UHFFFAOYSA-N
XLogP6.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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).