2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide

C12H23F3N4O — CID 64704560

IUPAC2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide
SMILESCC(CC(C)(N)C(N)=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-9(7-11(2,17)10(16)20)19-5-3-18(4-6-19)8-12(13,14)15/h9H,3-8,17H2,1-2H3,(H2,16,20)
InChIKeyASMBBUWKOCHZEH-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.15
Rot. Bonds5

About 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide

2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide (PubChem CID 64704560) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide
PubChem CID64704560
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide
SMILESCC(CC(C)(N)C(N)=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-9(7-11(2,17)10(16)20)19-5-3-18(4-6-19)8-12(13,14)15/h9H,3-8,17H2,1-2H3,(H2,16,20)
InChIKeyASMBBUWKOCHZEH-UHFFFAOYSA-N
XLogP0.15
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide?
The IUPAC name of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide (CID 64704560) is 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide is CC(CC(C)(N)C(N)=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide?
The InChIKey is ASMBBUWKOCHZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-9(7-11(2,17)10(16)20)19-5-3-18(4-6-19)8-12(13,14)15/h9H,3-8,17H2,1-2H3,(H2,16,20).
What are the key properties of 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide?
2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide has a molecular weight of 296.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanamide is sourced from PubChem (CID 64704560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).