N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

C25H23F3N4O3 — CID 134801922

IUPACN-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1
InChIInChI=1S/C25H23F3N4O3/c1-35-22-11-10-21(30-31-22)19-4-2-3-5-20(19)24(34)32-14-12-18(13-15-32)29-23(33)16-6-8-17(9-7-16)25(26,27)28/h2-11,18H,12-15H2,1H3,(H,29,33)
InChIKeyUTAAIEHONJETGO-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.21
Rot. Bonds5

About N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 134801922) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID134801922
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1
InChIInChI=1S/C25H23F3N4O3/c1-35-22-11-10-21(30-31-22)19-4-2-3-5-20(19)24(34)32-14-12-18(13-15-32)29-23(33)16-6-8-17(9-7-16)25(26,27)28/h2-11,18H,12-15H2,1H3,(H,29,33)
InChIKeyUTAAIEHONJETGO-UHFFFAOYSA-N
XLogP4.21
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-fluoro-1-(oxan-4-yl)piperidin-4-yl]-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-propan-2-ylpyridazin-3-yl)phenoxy]benzamide
CID 91972003
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(ethylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456422
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456763
(1R,9S)-11-[4-(4-methoxyphthalazin-1-yl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 664725
4-fluoro-N-[1-[6-(4-methoxyphenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 145960917
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
CID 6401687
3-(3-methoxyphenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 44525826
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 134801922) is N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is COc1ccc(-c2ccccc2C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)nn1.
What is the InChIKey of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is UTAAIEHONJETGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-35-22-11-10-21(30-31-22)19-4-2-3-5-20(19)24(34)32-14-12-18(13-15-32)29-23(33)16-6-8-17(9-7-16)25(26,27)28/h2-11,18H,12-15H2,1H3,(H,29,33).
What are the key properties of N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 484.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).