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

C16H27NO3 — CID 102899317

IUPAC3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CCC3(CCCCC3)O2)CCCNC1
InChIInChI=1S/C16H27NO3/c18-14(19)15(6-4-10-17-12-15)11-13-5-9-16(20-13)7-2-1-3-8-16/h13,17H,1-12H2,(H,18,19)
InChIKeyGAIKMSDIOKBIOF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.71
Rot. Bonds3

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

3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 102899317) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID102899317
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(CC2CCC3(CCCCC3)O2)CCCNC1
InChIInChI=1S/C16H27NO3/c18-14(19)15(6-4-10-17-12-15)11-13-5-9-16(20-13)7-2-1-3-8-16/h13,17H,1-12H2,(H,18,19)
InChIKeyGAIKMSDIOKBIOF-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899318
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
3-(1-oxaspiro[4.5]decan-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 102899338
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 102901902
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)thiolane-2-carboxylic acid
CID 102901904
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid (CID 102899317) is 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1(CC2CCC3(CCCCC3)O2)CCCNC1.
What is the InChIKey of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is GAIKMSDIOKBIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-14(19)15(6-4-10-17-12-15)11-13-5-9-16(20-13)7-2-1-3-8-16/h13,17H,1-12H2,(H,18,19).
What are the key properties of 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid?
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102899317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).