2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid

C17H29NO3 — CID 79902227

IUPAC2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H29NO3/c19-16(20)12-14-4-9-18(10-5-14)15-6-11-21-17(13-15)7-2-1-3-8-17/h14-15H,1-13H2,(H,19,20)
InChIKeyVOOJZPXOAHLRFE-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.06
Rot. Bonds3

About 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid

2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid (PubChem CID 79902227) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
PubChem CID79902227
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C17H29NO3/c19-16(20)12-14-4-9-18(10-5-14)15-6-11-21-17(13-15)7-2-1-3-8-17/h14-15H,1-13H2,(H,19,20)
InChIKeyVOOJZPXOAHLRFE-UHFFFAOYSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylic acid
CID 79894727
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-amine
CID 79904478
3-[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]propanoic acid
CID 79901129
ethyl 1-(5-oxaspiro[3.5]nonan-8-yl)piperidine-4-carboxylate
CID 79920218
1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid (CID 79902227) is 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid?
The InChIKey is VOOJZPXOAHLRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(20)12-14-4-9-18(10-5-14)15-6-11-21-17(13-15)7-2-1-3-8-17/h14-15H,1-13H2,(H,19,20).
What are the key properties of 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid?
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79902227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).