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

C13H15ClN2O4 — CID 63870387

IUPAC2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H15ClN2O4/c14-9-1-4-15-11(7-9)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)
InChIKeyANCPFBXLDZOUIE-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.44
Rot. Bonds4

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

2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63870387) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63870387
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H15ClN2O4/c14-9-1-4-15-11(7-9)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)
InChIKeyANCPFBXLDZOUIE-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

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Related Compounds

2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
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-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
2-[1-(4-chloropyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603963
2-[4-(4-chloropyridine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823041
2-[1-(3,6-dichloropyridazine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63870220
2-[1-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66156931
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid (CID 63870387) is 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of 2-[1-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ANCPFBXLDZOUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-9-1-4-15-11(7-9)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-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-chloropyridine-2-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-(4-chloropyridine-2-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63870387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).