4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

C18H19F3N4O2 — CID 154662377

IUPAC4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(F)(Cc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H19F3N4O2/c1-24-16(26)3-2-15(23-24)22-17(27)25-6-4-18(21,5-7-25)11-12-8-13(19)10-14(20)9-12/h2-3,8-10H,4-7,11H2,1H3,(H,22,23,27)
InChIKeyUQESUNOEMGTIJL-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.64
Rot. Bonds3

About 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 154662377) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
PubChem CID154662377
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(F)(Cc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H19F3N4O2/c1-24-16(26)3-2-15(23-24)22-17(27)25-6-4-18(21,5-7-25)11-12-8-13(19)10-14(20)9-12/h2-3,8-10H,4-7,11H2,1H3,(H,22,23,27)
InChIKeyUQESUNOEMGTIJL-UHFFFAOYSA-N
XLogP2.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,5-difluorophenyl)ethyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 157412972
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662305
4-[(2-fluorophenoxy)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662325
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
6-[2-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylpyridazin-3-one
CID 160860615
N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 154662277
N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025521
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
4-[(2-chloro-3-cyanophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662466
ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen
CID 154662299

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (CID 154662377) is 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(F)(Cc3cc(F)cc(F)c3)CC2)ccc1=O.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is UQESUNOEMGTIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-24-16(26)3-2-15(23-24)22-17(27)25-6-4-18(21,5-7-25)11-12-8-13(19)10-14(20)9-12/h2-3,8-10H,4-7,11H2,1H3,(H,22,23,27).
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-4-fluoro-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154662377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).