4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid

C14H15F3N2O4 — CID 56868797

IUPAC4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(OCC(F)(F)F)c2)CCN1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)8-23-10-3-1-2-9(6-10)12(20)19-5-4-18-11(7-19)13(21)22/h1-3,6,11,18H,4-5,7-8H2,(H,21,22)
InChIKeyOUHYHLAHYSOZKU-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.13
Rot. Bonds4

About 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid

4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid (PubChem CID 56868797) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid
PubChem CID56868797
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc(OCC(F)(F)F)c2)CCN1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)8-23-10-3-1-2-9(6-10)12(20)19-5-4-18-11(7-19)13(21)22/h1-3,6,11,18H,4-5,7-8H2,(H,21,22)
InChIKeyOUHYHLAHYSOZKU-UHFFFAOYSA-N
XLogP1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic 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-[3-(2,2,2-trifluoroethoxy)benzoyl]azetidin-3-yl]oxidanium
CID 147490218
(2S)-4-[4-(trifluoromethoxy)benzoyl]piperazine-2-carboxylic acid
CID 138665349
(4-benzylpiperazin-1-yl)-[3-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 19290787
(2S)-4-[2-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid
CID 95545201
ethyl 4-benzoylpiperazine-2-carboxylate
CID 18412087
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
[3-[(3-chlorophenyl)methoxy]phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576539
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid (CID 56868797) is 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc(OCC(F)(F)F)c2)CCN1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid?
The InChIKey is OUHYHLAHYSOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)8-23-10-3-1-2-9(6-10)12(20)19-5-4-18-11(7-19)13(21)22/h1-3,6,11,18H,4-5,7-8H2,(H,21,22).
What are the key properties of 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid?
4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethoxy)benzoyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56868797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).