2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid

C13H22N2O5 — CID 63877317

IUPAC2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)N2CCCC(O)C2)CC1
InChIInChI=1S/C13H22N2O5/c16-10-2-1-5-15(8-10)13(19)14-6-3-11(4-7-14)20-9-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyMZUPFFPURDFGCV-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.13
Rot. Bonds3

About 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63877317) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63877317
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)N2CCCC(O)C2)CC1
InChIInChI=1S/C13H22N2O5/c16-10-2-1-5-15(8-10)13(19)14-6-3-11(4-7-14)20-9-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyMZUPFFPURDFGCV-UHFFFAOYSA-N
XLogP0.13
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid
CID 114411761
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307
2-[(3S)-1-acetylpiperidin-3-yl]oxyacetic acid
CID 66563759
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255
2-[1-[(1-methylpiperidin-3-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877492
2-cyclododecyloxyacetic acid
CID 19371812
2-cycloheptyloxyacetic acid
CID 61069533
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
2-[1-(oxane-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 55250892

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid (CID 63877317) is 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)N2CCCC(O)C2)CC1.
What is the InChIKey of 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is MZUPFFPURDFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-10-2-1-5-15(8-10)13(19)14-6-3-11(4-7-14)20-9-12(17)18/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63877317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).