3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one

C19H22FN3O2 — CID 56812348

IUPAC3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
SMILESCCC1CCCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1
InChIInChI=1S/C19H22FN3O2/c1-3-14-7-6-10-22(12-14)19(25)18-17(24)11-13(2)23(21-18)16-9-5-4-8-15(16)20/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3
InChIKeyBNUANZKQOPGTNQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.94
Rot. Bonds3

About 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one

3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one (PubChem CID 56812348) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
PubChem CID56812348
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
SMILESCCC1CCCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1
InChIInChI=1S/C19H22FN3O2/c1-3-14-7-6-10-22(12-14)19(25)18-17(24)11-13(2)23(21-18)16-9-5-4-8-15(16)20/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3
InChIKeyBNUANZKQOPGTNQ-UHFFFAOYSA-N
XLogP2.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one;hydrochloride
CID 119519008
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35514756
1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119468055
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
CID 119483274
1-(2-fluorophenyl)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-6-methylpyridazin-4-one
CID 24552263
ethyl 4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 31844596
2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456080

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one (CID 56812348) is 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one is CCC1CCCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1.
What is the InChIKey of 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
The InChIKey is BNUANZKQOPGTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-3-14-7-6-10-22(12-14)19(25)18-17(24)11-13(2)23(21-18)16-9-5-4-8-15(16)20/h4-5,8-9,11,14H,3,6-7,10,12H2,1-2H3.
What are the key properties of 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one has a molecular weight of 343.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 56812348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).