ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate

C20H23N3O5 — CID 8553233

IUPACethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)c(=O)cc2OC)CC1
InChIInChI=1S/C20H23N3O5/c1-3-28-20(26)14-9-11-22(12-10-14)19(25)18-16(27-2)13-17(24)23(21-18)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeySFXWBZNENFCCPE-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.66
Rot. Bonds5

About ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 8553233) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
PubChem CID8553233
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Nameethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)c(=O)cc2OC)CC1
InChIInChI=1S/C20H23N3O5/c1-3-28-20(26)14-9-11-22(12-10-14)19(25)18-16(27-2)13-17(24)23(21-18)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeySFXWBZNENFCCPE-UHFFFAOYSA-N
XLogP1.66
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3R)-1-[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]piperidine-3-carboxylate
CID 8555696
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
ethyl 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 4808931
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 27555135
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987
ethyl 1-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 42755460
ethyl 1-[2-(3-methylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carbonyl]piperidine-4-carboxylate
CID 46005041
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate (CID 8553233) is ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2nn(-c3ccccc3)c(=O)cc2OC)CC1.
What is the InChIKey of ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is SFXWBZNENFCCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-3-28-20(26)14-9-11-22(12-10-14)19(25)18-16(27-2)13-17(24)23(21-18)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 8553233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).