ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate

C17H24N4O3 — CID 71778467

IUPACethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C17H24N4O3/c1-2-24-17(23)13-6-5-11-21(12-13)16(22)14-7-8-15(19-18-14)20-9-3-4-10-20/h7-8,13H,2-6,9-12H2,1H3
InChIKeyJBIIXFQDXRWFNX-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.49
Rot. Bonds4

About ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 71778467) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate
PubChem CID71778467
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C17H24N4O3/c1-2-24-17(23)13-6-5-11-21(12-13)16(22)14-7-8-15(19-18-14)20-9-3-4-10-20/h7-8,13H,2-6,9-12H2,1H3
InChIKeyJBIIXFQDXRWFNX-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate (CID 71778467) is ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccc(N3CCCC3)nn2)C1.
What is the InChIKey of ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is JBIIXFQDXRWFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-24-17(23)13-6-5-11-21(12-13)16(22)14-7-8-15(19-18-14)20-9-3-4-10-20/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 71778467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).