2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one

C18H17N3O4 — CID 16671079

IUPAC2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESO=C(c1ccco1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C18H17N3O4/c22-17-6-5-14(15-3-1-11-24-15)19-21(17)13-7-9-20(10-8-13)18(23)16-4-2-12-25-16/h1-6,11-13H,7-10H2
InChIKeyKFHCCSDWIWGWPZ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.57
Rot. Bonds3

About 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one

2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 16671079) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID16671079
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESO=C(c1ccco1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C18H17N3O4/c22-17-6-5-14(15-3-1-11-24-15)19-21(17)13-7-9-20(10-8-13)18(23)16-4-2-12-25-16/h1-6,11-13H,7-10H2
InChIKeyKFHCCSDWIWGWPZ-UHFFFAOYSA-N
XLogP2.57
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
6-(furan-2-yl)-2-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]pyridazin-3-one
CID 95797603
6-(furan-2-yl)-2-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 95797593
6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 110214053
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 7026554
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 16670583
azepan-1-yl(furan-2-yl)methanone
CID 5200992
6-(furan-2-yl)-2-[(3R)-1-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one
CID 92565659

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one (CID 16671079) is 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one is O=C(c1ccco1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1.
What is the InChIKey of 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is KFHCCSDWIWGWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17-6-5-14(15-3-1-11-24-15)19-21(17)13-7-9-20(10-8-13)18(23)16-4-2-12-25-16/h1-6,11-13H,7-10H2.
What are the key properties of 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 339.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 16671079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).