2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid

C13H15ClN2O4 — CID 63869549

IUPAC2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H15ClN2O4/c14-11-2-1-9(7-15-11)13(19)16-5-3-10(4-6-16)20-8-12(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)
InChIKeyQJVJPDUIXGJKMP-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.44
Rot. Bonds4

About 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid

2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869549) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869549
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C13H15ClN2O4/c14-11-2-1-9(7-15-11)13(19)16-5-3-10(4-6-16)20-8-12(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)
InChIKeyQJVJPDUIXGJKMP-UHFFFAOYSA-N
XLogP1.44
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(6-chloro-3-pyridinyl)-(4-propoxyazepan-1-yl)methanone
CID 71878080
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid (CID 63869549) is 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is QJVJPDUIXGJKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-11-2-1-9(7-15-11)13(19)16-5-3-10(4-6-16)20-8-12(17)18/h1-2,7,10H,3-6,8H2,(H,17,18).
What are the key properties of 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 298.73 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).