(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C13H14F3N3O2 — CID 95147672

IUPAC(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c1-8-11(20)17-6-7-19(8)12(21)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,18,21)/t8-/m1/s1
InChIKeyAYOFNIGYFODQJB-MRVPVSSYSA-N
MW301.27 g/mol
LogP2.06
Rot. Bonds1

About (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 95147672) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID95147672
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O2/c1-8-11(20)17-6-7-19(8)12(21)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,18,21)/t8-/m1/s1
InChIKeyAYOFNIGYFODQJB-MRVPVSSYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 95147672) is (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is AYOFNIGYFODQJB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-8-11(20)17-6-7-19(8)12(21)18-10-4-2-9(3-5-10)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,18,21)/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 95147672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).