4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide

C18H18F4N4O3 — CID 50915680

IUPAC4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
SMILESCn1nccc(NC(=O)N2CCC(Oc3cc(C(F)(F)F)ccc3F)CC2)c1=O
InChIInChI=1S/C18H18F4N4O3/c1-25-16(27)14(4-7-23-25)24-17(28)26-8-5-12(6-9-26)29-15-10-11(18(20,21)22)2-3-13(15)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,24,28)
InChIKeyIFIZWOYBSFXAPM-UHFFFAOYSA-N
MW414.36 g/mol
LogP3.01
Rot. Bonds3

About 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide

4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide (PubChem CID 50915680) has the molecular formula C18H18F4N4O3 and a molecular weight of 414.36 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
PubChem CID50915680
Molecular FormulaC18H18F4N4O3
Molecular Weight414.36 g/mol
Exact Mass414.13
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
SMILESCn1nccc(NC(=O)N2CCC(Oc3cc(C(F)(F)F)ccc3F)CC2)c1=O
InChIInChI=1S/C18H18F4N4O3/c1-25-16(27)14(4-7-23-25)24-17(28)26-8-5-12(6-9-26)29-15-10-11(18(20,21)22)2-3-13(15)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,24,28)
InChIKeyIFIZWOYBSFXAPM-UHFFFAOYSA-N
XLogP3.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-4,5-difluorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
CID 50916175
4-(2,5-dichlorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
CID 50915837
4-[[2-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one
CID 50917448
4-[(E)-3-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-2-methylpyridazin-3-one
CID 50917999
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591546
4-[[2-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-5-methoxy-2-methylpyridazin-3-one
CID 50915504
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
4-[[2-[4-(5-bromo-2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-2-methylpyridazin-3-one
CID 50917622
4-[2-fluoro-5-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 63037864
4-pyrimidin-2-yloxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90558855
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121017939

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide (CID 50915680) is 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide is Cn1nccc(NC(=O)N2CCC(Oc3cc(C(F)(F)F)ccc3F)CC2)c1=O.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
The InChIKey is IFIZWOYBSFXAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N4O3/c1-25-16(27)14(4-7-23-25)24-17(28)26-8-5-12(6-9-26)29-15-10-11(18(20,21)22)2-3-13(15)19/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,24,28).
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide?
4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 50915680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).