(2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile

C14H14F3N3O2 — CID 125138052

IUPAC(2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile
SMILESCN1CCN(C(=O)c2ccccc2OC(F)(F)F)C[C@@H]1C#N
InChIInChI=1S/C14H14F3N3O2/c1-19-6-7-20(9-10(19)8-18)13(21)11-4-2-3-5-12(11)22-14(15,16)17/h2-5,10H,6-7,9H2,1H3/t10-/m0/s1
InChIKeyNZJZSADGCZUQTF-JTQLQIEISA-N
MW313.28 g/mol
LogP1.86
Rot. Bonds2

About (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile

(2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile (PubChem CID 125138052) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile
PubChem CID125138052
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name(2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile
SMILESCN1CCN(C(=O)c2ccccc2OC(F)(F)F)C[C@@H]1C#N
InChIInChI=1S/C14H14F3N3O2/c1-19-6-7-20(9-10(19)8-18)13(21)11-4-2-3-5-12(11)22-14(15,16)17/h2-5,10H,6-7,9H2,1H3/t10-/m0/s1
InChIKeyNZJZSADGCZUQTF-JTQLQIEISA-N
XLogP1.86
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile 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

[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 110023701
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
5-methyl-1-[2-(trifluoromethoxy)benzoyl]piperidine-3-carboxylic acid
CID 122117455
(3S,4S)-4-methyl-1-[2-(trifluoromethoxy)benzoyl]pyrrolidine-3-carboxamide
CID 128988770
[3-(4-fluorophenyl)azepan-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 121146325
[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122334401
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122341284
[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122339279
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 68972237
6-[4-[2-(trifluoromethoxy)benzoyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66850153

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile?
The IUPAC name of (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile (CID 125138052) is (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile.
What is the SMILES notation for (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile?
The canonical SMILES for (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile is CN1CCN(C(=O)c2ccccc2OC(F)(F)F)C[C@@H]1C#N.
What is the InChIKey of (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile?
The InChIKey is NZJZSADGCZUQTF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-19-6-7-20(9-10(19)8-18)13(21)11-4-2-3-5-12(11)22-14(15,16)17/h2-5,10H,6-7,9H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile?
(2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile has a molecular weight of 313.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-[2-(trifluoromethoxy)benzoyl]piperazine-2-carbonitrile is sourced from PubChem (CID 125138052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).