furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C18H23N5O2 — CID 122334677

IUPACfuran-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C18H23N5O2/c24-18(15-6-13-25-14-15)23-11-9-22(10-12-23)17-5-4-16(19-20-17)21-7-2-1-3-8-21/h4-6,13-14H,1-3,7-12H2
InChIKeyAODVDXSVTOVPFC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds3

About furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122334677) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID122334677
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Namefuran-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C18H23N5O2/c24-18(15-6-13-25-14-15)23-11-9-22(10-12-23)17-5-4-16(19-20-17)21-7-2-1-3-8-21/h4-6,13-14H,1-3,7-12H2
InChIKeyAODVDXSVTOVPFC-UHFFFAOYSA-N
XLogP2.02
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 122334677) is furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is AODVDXSVTOVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(15-6-13-25-14-15)23-11-9-22(10-12-23)17-5-4-16(19-20-17)21-7-2-1-3-8-21/h4-6,13-14H,1-3,7-12H2.
What are the key properties of furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122334677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).