(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide

C12H12F3N3O3 — CID 142479947

IUPAC(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
SMILESO=C1CNC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)21-8-3-1-2-7(4-8)17-11(20)9-5-16-6-10(19)18-9/h1-4,9,16H,5-6H2,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyROYRQQUGOWKIFK-SECBINFHSA-N
MW303.24 g/mol
LogP0.61
Rot. Bonds3

About (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide

(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide (PubChem CID 142479947) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
PubChem CID142479947
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
SMILESO=C1CNC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)21-8-3-1-2-7(4-8)17-11(20)9-5-16-6-10(19)18-9/h1-4,9,16H,5-6H2,(H,17,20)(H,18,19)/t9-/m1/s1
InChIKeyROYRQQUGOWKIFK-SECBINFHSA-N
XLogP0.61
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 71125129
5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
(7R)-5-oxo-N-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135601549
2-[(3S)-pyrrolidin-3-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 95725926
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925

Frequently Asked Questions

What is the IUPAC name of (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide (CID 142479947) is (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide is O=C1CNC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1.
What is the InChIKey of (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide?
The InChIKey is ROYRQQUGOWKIFK-SECBINFHSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)21-8-3-1-2-7(4-8)17-11(20)9-5-16-6-10(19)18-9/h1-4,9,16H,5-6H2,(H,17,20)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide?
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide is sourced from PubChem (CID 142479947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).