ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate

C19H28N4O3 — CID 121118394

IUPACethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCCN(c3ccc(C)nn3)C2)C1
InChIInChI=1S/C19H28N4O3/c1-3-26-19(25)16-7-5-11-23(13-16)18(24)15-6-4-10-22(12-15)17-9-8-14(2)20-21-17/h8-9,15-16H,3-7,10-13H2,1-2H3
InChIKeyKWJSABSFDGWNHA-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.80
Rot. Bonds4

About ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 121118394) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID121118394
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCCN(c3ccc(C)nn3)C2)C1
InChIInChI=1S/C19H28N4O3/c1-3-26-19(25)16-7-5-11-23(13-16)18(24)15-6-4-10-22(12-15)17-9-8-14(2)20-21-17/h8-9,15-16H,3-7,10-13H2,1-2H3
InChIKeyKWJSABSFDGWNHA-UHFFFAOYSA-N
XLogP1.80
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
ethyl 1-[1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 53038525
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
ethyl (3R)-1-[1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92715750
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121118686

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate (CID 121118394) is ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCCN(c3ccc(C)nn3)C2)C1.
What is the InChIKey of ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is KWJSABSFDGWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-26-19(25)16-7-5-11-23(13-16)18(24)15-6-4-10-22(12-15)17-9-8-14(2)20-21-17/h8-9,15-16H,3-7,10-13H2,1-2H3.
What are the key properties of ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 121118394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).