2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

C23H30N2O6 — CID 138806078

IUPAC2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)CC12CCOCC2
InChIInChI=1S/C23H30N2O6/c26-20(24-9-2-1-3-10-24)15-31-18-6-4-5-17(13-18)21(27)25-14-19(22(28)29)23(16-25)7-11-30-12-8-23/h4-6,13,19H,1-3,7-12,14-16H2,(H,28,29)
InChIKeyVDYBBTDOSRMAKJ-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.03
Rot. Bonds5

About 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid

2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (PubChem CID 138806078) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
PubChem CID138806078
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)CC12CCOCC2
InChIInChI=1S/C23H30N2O6/c26-20(24-9-2-1-3-10-24)15-31-18-6-4-5-17(13-18)21(27)25-14-19(22(28)29)23(16-25)7-11-30-12-8-23/h4-6,13,19H,1-3,7-12,14-16H2,(H,28,29)
InChIKeyVDYBBTDOSRMAKJ-UHFFFAOYSA-N
XLogP2.03
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
2-(2-phenoxyacetyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118741041
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556
[3-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543540
1-piperidin-1-yl-2-[3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)phenoxy]ethanone
CID 72916286
2-(5-methoxypyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167765410

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid (CID 138806078) is 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(OCC(=O)N3CCCCC3)c2)CC12CCOCC2.
What is the InChIKey of 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is VDYBBTDOSRMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6/c26-20(24-9-2-1-3-10-24)15-31-18-6-4-5-17(13-18)21(27)25-14-19(22(28)29)23(16-25)7-11-30-12-8-23/h4-6,13,19H,1-3,7-12,14-16H2,(H,28,29).
What are the key properties of 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid?
2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 430.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 138806078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).