[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C21H26N4O3 — CID 30361121

IUPAC[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)N4CCOCC4)CC3)nn2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-18-4-2-16(3-5-18)19-6-7-20(23-22-19)24-10-8-17(9-11-24)21(26)25-12-14-28-15-13-25/h2-7,17H,8-15H2,1H3
InChIKeyXMHUTIUTQLFBDM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.23
Rot. Bonds4

About [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 30361121) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID30361121
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)N4CCOCC4)CC3)nn2)cc1
InChIInChI=1S/C21H26N4O3/c1-27-18-4-2-16(3-5-18)19-6-7-20(23-22-19)24-10-8-17(9-11-24)21(26)25-12-14-28-15-13-25/h2-7,17H,8-15H2,1H3
InChIKeyXMHUTIUTQLFBDM-UHFFFAOYSA-N
XLogP2.23
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 30361121) is [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2ccc(N3CCC(C(=O)N4CCOCC4)CC3)nn2)cc1.
What is the InChIKey of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is XMHUTIUTQLFBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-18-4-2-16(3-5-18)19-6-7-20(23-22-19)24-10-8-17(9-11-24)21(26)25-12-14-28-15-13-25/h2-7,17H,8-15H2,1H3.
What are the key properties of [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 382.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 30361121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).