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

C25H23F3N4O3 — CID 134800971

IUPACN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)c2)nn1
InChIInChI=1S/C25H23F3N4O3/c1-35-22-10-9-21(30-31-22)17-3-2-4-18(15-17)24(34)32-13-11-20(12-14-32)29-23(33)16-5-7-19(8-6-16)25(26,27)28/h2-10,15,20H,11-14H2,1H3,(H,29,33)
InChIKeyYLOQVRCDUMNNTF-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.21
Rot. Bonds5

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

N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 134800971) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID134800971
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)c2)nn1
InChIInChI=1S/C25H23F3N4O3/c1-35-22-10-9-21(30-31-22)17-3-2-4-18(15-17)24(34)32-13-11-20(12-14-32)29-23(33)16-5-7-19(8-6-16)25(26,27)28/h2-10,15,20H,11-14H2,1H3,(H,29,33)
InChIKeyYLOQVRCDUMNNTF-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

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(6-methoxypyridazin-3-yl)benzamide
CID 18438700
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
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
N-(2-{[6-(4-methoxyphenyl)pyridazin-3-yl]oxy}ethyl)-3-(trifluoromethyl)benzamide
CID 8701814
N-(2-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-2-naphthamide
CID 41527745
3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
CID 95877842
N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134800715
2-(6-methoxypyridazin-3-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 134800732
[4-(6-Methoxypyridazin-3-yl)phenyl]-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 134800809
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800856

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 134800971) is N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is COc1ccc(-c2cccc(C(=O)N3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)c2)nn1.
What is the InChIKey of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is YLOQVRCDUMNNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-35-22-10-9-21(30-31-22)17-3-2-4-18(15-17)24(34)32-13-11-20(12-14-32)29-23(33)16-5-7-19(8-6-16)25(26,27)28/h2-10,15,20H,11-14H2,1H3,(H,29,33).
What are the key properties of N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-[3-(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-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134800971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).