5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid

C16H27NO4 — CID 102898597

IUPAC5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCC(OCC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H27NO4/c18-15(19)12-8-14(10-17-9-12)20-11-13-4-7-16(21-13)5-2-1-3-6-16/h12-14,17H,1-11H2,(H,18,19)
InChIKeyVOARYRFIKGMCBL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.95
Rot. Bonds4

About 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid

5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid (PubChem CID 102898597) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid
PubChem CID102898597
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid
SMILESO=C(O)C1CNCC(OCC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C16H27NO4/c18-15(19)12-8-14(10-17-9-12)20-11-13-4-7-16(21-13)5-2-1-3-6-16/h12-14,17H,1-11H2,(H,18,19)
InChIKeyVOARYRFIKGMCBL-UHFFFAOYSA-N
XLogP1.95
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-oxaspiro[3.5]nonan-6-ylmethoxy)azetidine
CID 165499811
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
CID 102899119
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899318
1-oxaspiro[4.4]nonane-2-carboxylic acid
CID 130585120
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-N-propylcyclohexan-1-amine
CID 102896417
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
CID 102898844

Frequently Asked Questions

What is the IUPAC name of 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid?
The IUPAC name of 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid (CID 102898597) is 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid is O=C(O)C1CNCC(OCC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid?
The InChIKey is VOARYRFIKGMCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c18-15(19)12-8-14(10-17-9-12)20-11-13-4-7-16(21-13)5-2-1-3-6-16/h12-14,17H,1-11H2,(H,18,19).
What are the key properties of 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid?
5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid is sourced from PubChem (CID 102898597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).