1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate

C23H30N4O5 — CID 156502333

IUPAC1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate
SMILESCCOc1ncccc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C23H30N4O5/c1-6-31-19-16(8-7-13-24-19)17-9-10-18(26-25-17)23(20(28)30-5)11-14-27(15-12-23)21(29)32-22(2,3)4/h7-10,13H,6,11-12,14-15H2,1-5H3
InChIKeyCJPSLOVPUBCYDE-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.38
Rot. Bonds5

About 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate (PubChem CID 156502333) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate
PubChem CID156502333
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate
SMILESCCOc1ncccc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C23H30N4O5/c1-6-31-19-16(8-7-13-24-19)17-9-10-18(26-25-17)23(20(28)30-5)11-14-27(15-12-23)21(29)32-22(2,3)4/h7-10,13H,6,11-12,14-15H2,1-5H3
InChIKeyCJPSLOVPUBCYDE-UHFFFAOYSA-N
XLogP3.38
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate with MolForge

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Related Compounds

1-tert-butyl-4-ethoxycarbonyl-4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-2-carboxylic acid
CID 175598874
tert-butyl (3R)-3-[[4-[5-(2-ethoxy-3-pyridinyl)-2-pyridinyl]piperidine-4-carbonyl]amino]pyrrolidine-1-carboxylate
CID 156793091
1-O-tert-butyl 4-O-methyl 4-(2-methylsulfanylpyrimidin-4-yl)piperidine-1,4-dicarboxylate
CID 175375186
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
tert-butyl 4-[2-cyano-4-(2-ethoxy-3-pyridinyl)phenyl]piperazine-1-carboxylate;ethane
CID 170576680
tert-butyl 4-[2-(aminomethyl)-4-(2-ethoxy-3-pyridinyl)phenyl]piperazine-1-carboxylate
CID 170576656
1-O-tert-butyl 4-O-ethyl 4-pyridin-4-ylpiperidine-1,4-dicarboxylate
CID 58993693
1-O-tert-butyl 4-O-methyl 4-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxylate
CID 172630737
tert-butyl 4-[N'-[(2-ethoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111050757
tert-butyl 3-oxospiro[furo[2,3-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 142434085
1-O-tert-butyl 4-O-ethyl 4-(6-bromo-2-pyridinyl)piperidine-1,4-dicarboxylate
CID 89285207
1-O-tert-butyl 4-O-methyl 4-quinazolin-4-ylpiperidine-1,4-dicarboxylate
CID 58770778

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate (CID 156502333) is 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate is CCOc1ncccc1-c1ccc(C2(C(=O)OC)CCN(C(=O)OC(C)(C)C)CC2)nn1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate?
The InChIKey is CJPSLOVPUBCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-6-31-19-16(8-7-13-24-19)17-9-10-18(26-25-17)23(20(28)30-5)11-14-27(15-12-23)21(29)32-22(2,3)4/h7-10,13H,6,11-12,14-15H2,1-5H3.
What are the key properties of 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate has a molecular weight of 442.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl 4-[6-(2-ethoxy-3-pyridinyl)pyridazin-3-yl]piperidine-1,4-dicarboxylate is sourced from PubChem (CID 156502333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).