(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate

C13H14Cl2N2O3 — CID 4112626

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-10-6-9(7-16-12(10)15)13(19)20-8-11(18)17-4-2-1-3-5-17/h6-7H,1-5,8H2
InChIKeyOHAGJXJQPZEJLT-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.56
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate (PubChem CID 4112626) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
PubChem CID4112626
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-10-6-9(7-16-12(10)15)13(19)20-8-11(18)17-4-2-1-3-5-17/h6-7H,1-5,8H2
InChIKeyOHAGJXJQPZEJLT-UHFFFAOYSA-N
XLogP2.56
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 9231016
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2345805
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5,6-dichloropyridine-3-carboxylate
CID 46814013
(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate
CID 78997712
(2-oxo-2-piperidin-1-ylethyl) 3-amino-4,5-dichlorobenzoate
CID 61322937
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
[2-(azepan-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2432654
[2-(azepan-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 23791825
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 9231039

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate (CID 4112626) is (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate?
The InChIKey is OHAGJXJQPZEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-10-6-9(7-16-12(10)15)13(19)20-8-11(18)17-4-2-1-3-5-17/h6-7H,1-5,8H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate has a molecular weight of 317.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 4112626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).