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

C13H22N2O4 — CID 18925492

IUPAC2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C13H22N2O4/c16-12(17)9-19-10-4-7-15(8-5-10)13(18)11-3-1-2-6-14-11/h10-11,14H,1-9H2,(H,16,17)
InChIKeyJQULRIXJKNUUSX-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.22
Rot. Bonds4

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

2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 18925492) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID18925492
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C13H22N2O4/c16-12(17)9-19-10-4-7-15(8-5-10)13(18)11-3-1-2-6-14-11/h10-11,14H,1-9H2,(H,16,17)
InChIKeyJQULRIXJKNUUSX-UHFFFAOYSA-N
XLogP0.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid (CID 18925492) is 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is JQULRIXJKNUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(17)9-19-10-4-7-15(8-5-10)13(18)11-3-1-2-6-14-11/h10-11,14H,1-9H2,(H,16,17).
What are the key properties of 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidine-2-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 18925492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).