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

C23H29NO4 — CID 163672628

IUPAC2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCOc1ccccc1C1CC2(CCN(C(=O)C3CC4(COC(=O)C4)C3)CC2)C1
InChIInChI=1S/C23H29NO4/c1-27-19-5-3-2-4-18(19)16-10-22(11-16)6-8-24(9-7-22)21(26)17-12-23(13-17)14-20(25)28-15-23/h2-5,16-17H,6-15H2,1H3
InChIKeyJDWZLKUBQKIRJH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.52
Rot. Bonds3

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

2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (PubChem CID 163672628) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
PubChem CID163672628
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCOc1ccccc1C1CC2(CCN(C(=O)C3CC4(COC(=O)C4)C3)CC2)C1
InChIInChI=1S/C23H29NO4/c1-27-19-5-3-2-4-18(19)16-10-22(11-16)6-8-24(9-7-22)21(26)17-12-23(13-17)14-20(25)28-15-23/h2-5,16-17H,6-15H2,1H3
InChIKeyJDWZLKUBQKIRJH-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

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

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Related Compounds

2-[2-(3-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163411888
2-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163475194
methyl N-[3-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-1-methylcyclobutyl]-N-methylcarbamate
CID 170012968
2-[4-[2-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167710242
2-[(6R)-6-phenyl-2-azaspiro[3.4]octane-2-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 163971145
2-[4-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167645136
2-[4-(4-methylsulfanylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167665472
2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167615221
N-methyl-N-[1-methyl-3-[2-(2-methylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]propanamide
CID 170012940
(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277
tert-butyl 2-(5-tert-butyl-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 156864591
[4-(2-methoxyphenyl)piperidin-1-yl]-[(2S)-1-methylazepan-2-yl]methanone
CID 97188979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (CID 163672628) is 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is COc1ccccc1C1CC2(CCN(C(=O)C3CC4(COC(=O)C4)C3)CC2)C1.
What is the InChIKey of 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The InChIKey is JDWZLKUBQKIRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-27-19-5-3-2-4-18(19)16-10-22(11-16)6-8-24(9-7-22)21(26)17-12-23(13-17)14-20(25)28-15-23/h2-5,16-17H,6-15H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
2-[2-(2-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-(2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 163672628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).