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

C14H23NO4 — CID 112574004

IUPAC6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(C2CCOC3(CCOC3)C2)N1
InChIInChI=1S/C14H23NO4/c16-13(17)12-3-1-2-11(15-12)10-4-6-19-14(8-10)5-7-18-9-14/h10-12,15H,1-9H2,(H,16,17)
InChIKeyWEHBRDAEWIOXRD-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.17
Rot. Bonds2

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

6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid (PubChem CID 112574004) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
PubChem CID112574004
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(C2CCOC3(CCOC3)C2)N1
InChIInChI=1S/C14H23NO4/c16-13(17)12-3-1-2-11(15-12)10-4-6-19-14(8-10)5-7-18-9-14/h10-12,15H,1-9H2,(H,16,17)
InChIKeyWEHBRDAEWIOXRD-UHFFFAOYSA-N
XLogP1.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116549239
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
2-methyl-6-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 106780757
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116549168
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
3-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methylcyclopentan-1-one
CID 79924212
1-cyclopropyl-2-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 79894036
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid (CID 112574004) is 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCC(C2CCOC3(CCOC3)C2)N1.
What is the InChIKey of 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
The InChIKey is WEHBRDAEWIOXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(17)12-3-1-2-11(15-12)10-4-6-19-14(8-10)5-7-18-9-14/h10-12,15H,1-9H2,(H,16,17).
What are the key properties of 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid?
6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 112574004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).