2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one

C23H29NO4 — CID 163411888

IUPAC2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCOc1cccc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)c1
InChIInChI=1S/C23H29NO4/c1-27-19-4-2-3-16(9-19)17-10-22(11-17)5-7-24(8-6-22)21(26)18-12-23(13-18)14-20(25)28-15-23/h2-4,9,17-18H,5-8,10-15H2,1H3
InChIKeyABERXDIUVPUHQF-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds3

About 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one

2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (PubChem CID 163411888) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
PubChem CID163411888
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCOc1cccc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)c1
InChIInChI=1S/C23H29NO4/c1-27-19-4-2-3-16(9-19)17-10-22(11-17)5-7-24(8-6-22)21(26)18-12-23(13-18)14-20(25)28-15-23/h2-4,9,17-18H,5-8,10-15H2,1H3
InChIKeyABERXDIUVPUHQF-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (CID 163411888) is 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is COc1cccc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The InChIKey is ABERXDIUVPUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-27-19-4-2-3-16(9-19)17-10-22(11-17)5-7-24(8-6-22)21(26)18-12-23(13-18)14-20(25)28-15-23/h2-4,9,17-18H,5-8,10-15H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one has a molecular weight of 383.49 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 163411888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).