1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid

C16H27NO3 — CID 102899119

IUPAC1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H27NO3/c18-15(19)13-5-10-17(11-6-13)12-14-4-9-16(20-14)7-2-1-3-8-16/h13-14H,1-12H2,(H,18,19)
InChIKeyJGESAZCWBFXMLH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds3

About 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid

1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 102899119) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID102899119
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H27NO3/c18-15(19)13-5-10-17(11-6-13)12-14-4-9-16(20-14)7-2-1-3-8-16/h13-14H,1-12H2,(H,18,19)
InChIKeyJGESAZCWBFXMLH-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-ol
CID 102900018
N-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 124862277
2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 102899235
1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidin-3-ol
CID 102848137
2-[4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 102899178
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107324451
(3S,4S)-4-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 114086267
3-chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900770
2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899249
3-methylsulfanyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)azepane
CID 86818442
N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 102898526
3-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]propanoic acid
CID 102899176

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid (CID 102899119) is 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is JGESAZCWBFXMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-15(19)13-5-10-17(11-6-13)12-14-4-9-16(20-14)7-2-1-3-8-16/h13-14H,1-12H2,(H,18,19).
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid?
1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 102899119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).