6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C19H24FN3O2 — CID 45228958

IUPAC6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC(CCc3cccc(F)c3)C2)CCC1=O
InChIInChI=1S/C19H24FN3O2/c1-22-18(24)10-9-17(21-22)19(25)23-11-3-5-15(13-23)8-7-14-4-2-6-16(20)12-14/h2,4,6,12,15H,3,5,7-11,13H2,1H3
InChIKeyBLMVBQKDAVBPRG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.61
Rot. Bonds4

About 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 45228958) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID45228958
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC(CCc3cccc(F)c3)C2)CCC1=O
InChIInChI=1S/C19H24FN3O2/c1-22-18(24)10-9-17(21-22)19(25)23-11-3-5-15(13-23)8-7-14-4-2-6-16(20)12-14/h2,4,6,12,15H,3,5,7-11,13H2,1H3
InChIKeyBLMVBQKDAVBPRG-UHFFFAOYSA-N
XLogP2.61
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 45228958) is 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCCC(CCc3cccc(F)c3)C2)CCC1=O.
What is the InChIKey of 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is BLMVBQKDAVBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22-18(24)10-9-17(21-22)19(25)23-11-3-5-15(13-23)8-7-14-4-2-6-16(20)12-14/h2,4,6,12,15H,3,5,7-11,13H2,1H3.
What are the key properties of 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 345.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(3-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 45228958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).