1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid

C14H23NO3 — CID 79894727

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H23NO3/c16-13(17)11-2-7-15(8-3-11)12-4-9-18-14(10-12)5-1-6-14/h11-12H,1-10H2,(H,16,17)
InChIKeyWCXTVCOBHONXBU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.88
Rot. Bonds2

About 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid

1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid (PubChem CID 79894727) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
PubChem CID79894727
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCOC3(CCC3)C2)CC1
InChIInChI=1S/C14H23NO3/c16-13(17)11-2-7-15(8-3-11)12-4-9-18-14(10-12)5-1-6-14/h11-12H,1-10H2,(H,16,17)
InChIKeyWCXTVCOBHONXBU-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477
1-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane
CID 79905033
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)azetidin-3-ol
CID 79920128

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid (CID 79894727) is 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2CCOC3(CCC3)C2)CC1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid?
The InChIKey is WCXTVCOBHONXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(17)11-2-7-15(8-3-11)12-4-9-18-14(10-12)5-1-6-14/h11-12H,1-10H2,(H,16,17).
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid?
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79894727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).