2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone

C15H17F3N4O2 — CID 1469604

IUPAC2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C15H17F3N4O2/c1-24-9-14(23)21-6-4-11(5-7-21)22-13-3-2-10(15(16,17)18)8-12(13)19-20-22/h2-3,8,11H,4-7,9H2,1H3
InChIKeyAEBJYGDDZCXQQL-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.26
Rot. Bonds3

About 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone

2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 1469604) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
PubChem CID1469604
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C15H17F3N4O2/c1-24-9-14(23)21-6-4-11(5-7-21)22-13-3-2-10(15(16,17)18)8-12(13)19-20-22/h2-3,8,11H,4-7,9H2,1H3
InChIKeyAEBJYGDDZCXQQL-UHFFFAOYSA-N
XLogP2.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
CID 3229070
1-(2,3-Dihydro-indol-1-yl)-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 645204
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 648572
Cyclohexyl-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 654720
2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 3212217
1-[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-2-methoxy-ethanone
CID 649205
N-[(2-fluorophenyl)methyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469777
1-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 647671
4-Oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid
CID 1469593
N-(4-Fluoro-phenyl)-2-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 1469735
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N,N-diphenyl-acetamide
CID 1469769
2-Benzotriazol-1-yl-N-(3-fluoro-4-methyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-acetamide
CID 3212222

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone (CID 1469604) is 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is AEBJYGDDZCXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-24-9-14(23)21-6-4-11(5-7-21)22-13-3-2-10(15(16,17)18)8-12(13)19-20-22/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 342.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 1469604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).