2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid

C13H20N2O4 — CID 114411761

IUPAC2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)N2CC=CCC2)CC1
InChIInChI=1S/C13H20N2O4/c16-12(17)10-19-11-4-8-15(9-5-11)13(18)14-6-2-1-3-7-14/h1-2,11H,3-10H2,(H,16,17)
InChIKeyCAJGQDKFSPAKOK-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.93
Rot. Bonds3

About 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid

2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 114411761) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID114411761
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)N2CC=CCC2)CC1
InChIInChI=1S/C13H20N2O4/c16-12(17)10-19-11-4-8-15(9-5-11)13(18)14-6-2-1-3-7-14/h1-2,11H,3-10H2,(H,16,17)
InChIKeyCAJGQDKFSPAKOK-UHFFFAOYSA-N
XLogP0.93
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-hydroxypiperidine-1-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63877317
2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)azetidin-3-yl]acetic acid
CID 114411788
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid (CID 114411761) is 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)N2CC=CCC2)CC1.
What is the InChIKey of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is CAJGQDKFSPAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-12(17)10-19-11-4-8-15(9-5-11)13(18)14-6-2-1-3-7-14/h1-2,11H,3-10H2,(H,16,17).
What are the key properties of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 114411761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).