3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one

C18H21FN4O2 — CID 119468055

IUPAC3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCCC2CN)nn1-c1ccccc1F
InChIInChI=1S/C18H21FN4O2/c1-12-10-16(24)17(18(25)22-9-5-4-6-13(22)11-20)21-23(12)15-8-3-2-7-14(15)19/h2-3,7-8,10,13H,4-6,9,11,20H2,1H3
InChIKeyVPGVSZDRHDDWIK-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.63
Rot. Bonds3

About 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one

3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one (PubChem CID 119468055) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
PubChem CID119468055
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCCC2CN)nn1-c1ccccc1F
InChIInChI=1S/C18H21FN4O2/c1-12-10-16(24)17(18(25)22-9-5-4-6-13(22)11-20)21-23(12)15-8-3-2-7-14(15)19/h2-3,7-8,10,13H,4-6,9,11,20H2,1H3
InChIKeyVPGVSZDRHDDWIK-UHFFFAOYSA-N
XLogP1.63
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-6-methyl-3-[(2S)-2-methylpiperidine-1-carbonyl]pyridazin-4-one
CID 51644039
3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
3-(3-ethylpiperidine-1-carbonyl)-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 56812348
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124595459
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone
CID 119633234
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-6-methyl-1-(2-nitrophenyl)pyridazin-4-one
CID 119434975
1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide
CID 51238818
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
[2-(aminomethyl)piperidin-1-yl]-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119466944
1-(2-chlorophenyl)-6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)pyridazin-4-one
CID 43041687
1-(2-fluorophenyl)-6-methyl-3-(3-oxopiperazine-1-carbonyl)pyridazin-4-one
CID 31097080
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one (CID 119468055) is 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCCCC2CN)nn1-c1ccccc1F.
What is the InChIKey of 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
The InChIKey is VPGVSZDRHDDWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-10-16(24)17(18(25)22-9-5-4-6-13(22)11-20)21-23(12)15-8-3-2-7-14(15)19/h2-3,7-8,10,13H,4-6,9,11,20H2,1H3.
What are the key properties of 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one?
3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one has a molecular weight of 344.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 119468055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).