2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide

C12H14ClN3O3 — CID 87415967

IUPAC2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(Oc2cccnc2Cl)CC1
InChIInChI=1S/C12H14ClN3O3/c13-10-9(2-1-5-15-10)19-8-3-6-16(7-4-8)12(18)11(14)17/h1-2,5,8H,3-4,6-7H2,(H2,14,17)
InChIKeyZZMITEZRILKHHS-UHFFFAOYSA-N
MW283.71 g/mol
LogP0.59
Rot. Bonds2

About 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide

2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide (PubChem CID 87415967) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
PubChem CID87415967
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(Oc2cccnc2Cl)CC1
InChIInChI=1S/C12H14ClN3O3/c13-10-9(2-1-5-15-10)19-8-3-6-16(7-4-8)12(18)11(14)17/h1-2,5,8H,3-4,6-7H2,(H2,14,17)
InChIKeyZZMITEZRILKHHS-UHFFFAOYSA-N
XLogP0.59
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide (CID 87415967) is 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide is NC(=O)C(=O)N1CCC(Oc2cccnc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is ZZMITEZRILKHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-10-9(2-1-5-15-10)19-8-3-6-16(7-4-8)12(18)11(14)17/h1-2,5,8H,3-4,6-7H2,(H2,14,17).
What are the key properties of 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide?
2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 283.71 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-3-pyridinyl)oxy]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 87415967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).