1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid

C14H23NO4 — CID 79893816

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23NO4/c16-13(17)12-3-1-2-6-15(12)11-4-7-19-14(9-11)5-8-18-10-14/h11-12H,1-10H2,(H,16,17)
InChIKeyAQUNNUFUSDLFRD-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.26
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid

1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid (PubChem CID 79893816) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
PubChem CID79893816
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H23NO4/c16-13(17)12-3-1-2-6-15(12)11-4-7-19-14(9-11)5-8-18-10-14/h11-12H,1-10H2,(H,16,17)
InChIKeyAQUNNUFUSDLFRD-UHFFFAOYSA-N
XLogP1.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid (CID 79893816) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
The InChIKey is AQUNNUFUSDLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(17)12-3-1-2-6-15(12)11-4-7-19-14(9-11)5-8-18-10-14/h11-12H,1-10H2,(H,16,17).
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79893816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).