ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate

C20H24N4O4 — CID 3237755

IUPACethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C20H24N4O4/c1-2-28-20(27)23-12-10-16(11-13-23)21-18(25)14-24-19(26)9-8-17(22-24)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,25)
InChIKeyNQYXNBHMSISNGE-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.65
Rot. Bonds5

About ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 3237755) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID3237755
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Nameethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C20H24N4O4/c1-2-28-20(27)23-12-10-16(11-13-23)21-18(25)14-24-19(26)9-8-17(22-24)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,25)
InChIKeyNQYXNBHMSISNGE-UHFFFAOYSA-N
XLogP1.65
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate (CID 3237755) is ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is NQYXNBHMSISNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-28-20(27)23-12-10-16(11-13-23)21-18(25)14-24-19(26)9-8-17(22-24)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3237755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).