4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid

C16H17F3N4O3 — CID 1469593

IUPAC4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)10-1-2-13-12(9-10)20-21-23(13)11-5-7-22(8-6-11)14(24)3-4-15(25)26/h1-2,9,11H,3-8H2,(H,25,26)
InChIKeyUJQSZKNABDYGNJ-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.48
Rot. Bonds4

About 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid

4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid (PubChem CID 1469593) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid
PubChem CID1469593
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C16H17F3N4O3/c17-16(18,19)10-1-2-13-12(9-10)20-21-23(13)11-5-7-22(8-6-11)14(24)3-4-15(25)26/h1-2,9,11H,3-8H2,(H,25,26)
InChIKeyUJQSZKNABDYGNJ-UHFFFAOYSA-N
XLogP2.48
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid 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

1-(2,3-Dihydro-indol-1-yl)-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 645204
Cyclohexyl-[4-(5-methyl-benzotriazol-1-yl)-piperidin-1-yl]-methanone
CID 654720
2-Methoxy-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
CID 1469604
Methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
Ethyl 2-{4-[5-(trifluoromethyl)-1,2,3-benzotriazol-1-YL]piperidin-1-YL}acetate
CID 3229034
N-(Prop-2-EN-1-YL)-2-{4-[5-(trifluoromethyl)-1,2,3-benzotriazol-1-YL]piperidin-1-YL}acetamide
CID 3219947
3-(1H-1,2,3-benzotriazol-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
CID 60159451
2-Phenyl-1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]ethanone
CID 1469595
N-benzyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469630
N-(3-Methylphenyl)-2-{4-[5-(trifluoromethyl)-1,2,3-benzotriazol-1-YL]piperidin-1-YL}acetamide
CID 1469631
N-(4-Methylphenyl)-2-{4-[5-(trifluoromethyl)-1,2,3-benzotriazol-1-YL]piperidin-1-YL}acetamide
CID 1469665
N-cyclopropyl-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469671

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid (CID 1469593) is 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid is O=C(O)CCC(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid?
The InChIKey is UJQSZKNABDYGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c17-16(18,19)10-1-2-13-12(9-10)20-21-23(13)11-5-7-22(8-6-11)14(24)3-4-15(25)26/h1-2,9,11H,3-8H2,(H,25,26).
What are the key properties of 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid?
4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid has a molecular weight of 370.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 1469593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).