2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C20H24FN3O2 — CID 56864571

IUPAC2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCCC(CCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H24FN3O2/c1-15-4-11-19(25)24(22-15)14-20(26)23-12-2-3-17(13-23)6-5-16-7-9-18(21)10-8-16/h4,7-11,17H,2-3,5-6,12-14H2,1H3
InChIKeyCOCFIIHWVPENRV-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 56864571) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID56864571
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCCC(CCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C20H24FN3O2/c1-15-4-11-19(25)24(22-15)14-20(26)23-12-2-3-17(13-23)6-5-16-7-9-18(21)10-8-16/h4,7-11,17H,2-3,5-6,12-14H2,1H3
InChIKeyCOCFIIHWVPENRV-UHFFFAOYSA-N
XLogP2.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 56864571) is 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCCC(CCc3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is COCFIIHWVPENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-4-11-19(25)24(22-15)14-20(26)23-12-2-3-17(13-23)6-5-16-7-9-18(21)10-8-16/h4,7-11,17H,2-3,5-6,12-14H2,1H3.
What are the key properties of 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 357.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 56864571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).