ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate

C20H25N3O3 — CID 7658883

IUPACethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)n1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C20H25N3O3/c1-3-26-20(25)15(2)23-19(24)12-11-18(21-23)16-7-9-17(10-8-16)22-13-5-4-6-14-22/h7-12,15H,3-6,13-14H2,1-2H3/t15-/m1/s1
InChIKeyHPIMPYFDNBLUBS-OAHLLOKOSA-N
MW355.44 g/mol
LogP3.02
Rot. Bonds5

About ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate

ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate (PubChem CID 7658883) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
PubChem CID7658883
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)n1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C20H25N3O3/c1-3-26-20(25)15(2)23-19(24)12-11-18(21-23)16-7-9-17(10-8-16)22-13-5-4-6-14-22/h7-12,15H,3-6,13-14H2,1-2H3/t15-/m1/s1
InChIKeyHPIMPYFDNBLUBS-OAHLLOKOSA-N
XLogP3.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate (CID 7658883) is ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate is CCOC(=O)[C@@H](C)n1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O.
What is the InChIKey of ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate?
The InChIKey is HPIMPYFDNBLUBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-26-20(25)15(2)23-19(24)12-11-18(21-23)16-7-9-17(10-8-16)22-13-5-4-6-14-22/h7-12,15H,3-6,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate?
ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate has a molecular weight of 355.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]propanoate is sourced from PubChem (CID 7658883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).