[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate

C17H21F3N2O3 — CID 174557478

IUPAC[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O3/c1-16(2,3)15(24)25-22-10-8-21(9-11-22)14(23)12-6-4-5-7-13(12)17(18,19)20/h4-7H,8-11H2,1-3H3
InChIKeyPKBRYIBFVMZWBZ-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.97
Rot. Bonds2

About [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate

[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174557478) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174557478
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O3/c1-16(2,3)15(24)25-22-10-8-21(9-11-22)14(23)12-6-4-5-7-13(12)17(18,19)20/h4-7H,8-11H2,1-3H3
InChIKeyPKBRYIBFVMZWBZ-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate 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

[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178
butyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569491
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55558490
1-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108547592
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]acetamide
CID 154499668
benzyl 4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxylate
CID 108569496
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 46093497

Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate (CID 174557478) is [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is PKBRYIBFVMZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-16(2,3)15(24)25-22-10-8-21(9-11-22)14(23)12-6-4-5-7-13(12)17(18,19)20/h4-7H,8-11H2,1-3H3.
What are the key properties of [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate?
[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 358.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174557478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).