6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one

C19H22N4O4 — CID 110214053

IUPAC6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESO=C1CCCN1CC(=O)N1CCCC(n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C19H22N4O4/c24-17-6-2-10-22(17)13-19(26)21-9-1-4-14(12-21)23-18(25)8-7-15(20-23)16-5-3-11-27-16/h3,5,7-8,11,14H,1-2,4,6,9-10,12-13H2
InChIKeyKTYBZLFHFRLGHC-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.29
Rot. Bonds4

About 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one

6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 110214053) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
PubChem CID110214053
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one
SMILESO=C1CCCN1CC(=O)N1CCCC(n2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C19H22N4O4/c24-17-6-2-10-22(17)13-19(26)21-9-1-4-14(12-21)23-18(25)8-7-15(20-23)16-5-3-11-27-16/h3,5,7-8,11,14H,1-2,4,6,9-10,12-13H2
InChIKeyKTYBZLFHFRLGHC-UHFFFAOYSA-N
XLogP1.29
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

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-[(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-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]pyridazin-3-one
CID 92565659
2-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 56723869
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671079
6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51503012
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 121034408
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one (CID 110214053) is 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one is O=C1CCCN1CC(=O)N1CCCC(n2nc(-c3ccco3)ccc2=O)C1.
What is the InChIKey of 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
The InChIKey is KTYBZLFHFRLGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17-6-2-10-22(17)13-19(26)21-9-1-4-14(12-21)23-18(25)8-7-15(20-23)16-5-3-11-27-16/h3,5,7-8,11,14H,1-2,4,6,9-10,12-13H2.
What are the key properties of 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 370.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 110214053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).