3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C12H12F3N3O2 — CID 60765025

IUPAC3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccccc2C(F)(F)F)CCN1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-1-2-4-9(8)17-11(20)18-6-5-16-10(19)7-18/h1-4H,5-7H2,(H,16,19)(H,17,20)
InChIKeyMJJIGIIPYHCPTF-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.67
Rot. Bonds1

About 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 60765025) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID60765025
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C1CN(C(=O)Nc2ccccc2C(F)(F)F)CCN1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-1-2-4-9(8)17-11(20)18-6-5-16-10(19)7-18/h1-4H,5-7H2,(H,16,19)(H,17,20)
InChIKeyMJJIGIIPYHCPTF-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
3-amino-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 63767129
4-(triazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121165130
4-(2-oxo-1H-pyrazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 72907505
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
3-hydroxy-4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 103896300
2-fluoro-6-[(3-oxo-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 65363746
4-benzyl-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 3857364
5-methyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695045

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 60765025) is 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C1CN(C(=O)Nc2ccccc2C(F)(F)F)CCN1.
What is the InChIKey of 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MJJIGIIPYHCPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)8-3-1-2-4-9(8)17-11(20)18-6-5-16-10(19)7-18/h1-4H,5-7H2,(H,16,19)(H,17,20).
What are the key properties of 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 287.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60765025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).