ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate

C20H25N3O3 — CID 56682410

IUPACethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COC2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-25-20(24)17-7-5-16(6-8-17)14-26-18-10-12-23(13-11-18)19-9-4-15(2)21-22-19/h4-9,18H,3,10-14H2,1-2H3
InChIKeyKCPYWURHOVJBEP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.15
Rot. Bonds6

About ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate

ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate (PubChem CID 56682410) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate
PubChem CID56682410
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate
SMILESCCOC(=O)c1ccc(COC2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-3-25-20(24)17-7-5-16(6-8-17)14-26-18-10-12-23(13-11-18)19-9-4-15(2)21-22-19/h4-9,18H,3,10-14H2,1-2H3
InChIKeyKCPYWURHOVJBEP-UHFFFAOYSA-N
XLogP3.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate?
The IUPAC name of ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate (CID 56682410) is ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate.
What is the SMILES notation for ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate?
The canonical SMILES for ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate is CCOC(=O)c1ccc(COC2CCN(c3ccc(C)nn3)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate?
The InChIKey is KCPYWURHOVJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-25-20(24)17-7-5-16(6-8-17)14-26-18-10-12-23(13-11-18)19-9-4-15(2)21-22-19/h4-9,18H,3,10-14H2,1-2H3.
What are the key properties of ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate?
ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate has a molecular weight of 355.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]oxymethyl]benzoate is sourced from PubChem (CID 56682410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).