ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate

C13H16ClN3O3 — CID 60859036

IUPACethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C13H16ClN3O3/c1-2-20-13(19)9-4-3-7-17(8-9)12(18)10-5-6-11(14)16-15-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyRDOIUKXHUXVTAC-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.55
Rot. Bonds3

About ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 60859036) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
PubChem CID60859036
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Nameethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(Cl)nn2)C1
InChIInChI=1S/C13H16ClN3O3/c1-2-20-13(19)9-4-3-7-17(8-9)12(18)10-5-6-11(14)16-15-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyRDOIUKXHUXVTAC-UHFFFAOYSA-N
XLogP1.55
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate (CID 60859036) is ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)nn2)C1.
What is the InChIKey of ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is RDOIUKXHUXVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-2-20-13(19)9-4-3-7-17(8-9)12(18)10-5-6-11(14)16-15-10/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 60859036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).