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

C13H15ClN2O4 — CID 107526554

IUPAC2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H15ClN2O4/c14-11-7-9(1-4-15-11)13(19)16-5-2-10(3-6-16)20-8-12(17)18/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)
InChIKeyCIKOBTLVWIGPKL-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.44
Rot. Bonds4

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

2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 107526554) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID107526554
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H15ClN2O4/c14-11-7-9(1-4-15-11)13(19)16-5-2-10(3-6-16)20-8-12(17)18/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)
InChIKeyCIKOBTLVWIGPKL-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-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870387
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208
3-[1-(3-chlorobenzoyl)piperidin-4-yl]oxypropanoic acid
CID 63877037

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid (CID 107526554) is 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is CIKOBTLVWIGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-11-7-9(1-4-15-11)13(19)16-5-2-10(3-6-16)20-8-12(17)18/h1,4,7,10H,2-3,5-6,8H2,(H,17,18).
What are the key properties of 2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-chloropyridine-4-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-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 107526554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).