4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide

C11H19F3N4O2 — CID 79805220

IUPAC4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N4O2/c1-3-16-9(20)18-6-4-17(5-7-18)8(19)10(2,15)11(12,13)14/h3-7,15H2,1-2H3,(H,16,20)
InChIKeyFAQIHAPZGKKGNN-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.14
Rot. Bonds2

About 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide

4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 79805220) has the molecular formula C11H19F3N4O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide
PubChem CID79805220
Molecular FormulaC11H19F3N4O2
Molecular Weight296.29 g/mol
Exact Mass296.15
IUPAC Name4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N4O2/c1-3-16-9(20)18-6-4-17(5-7-18)8(19)10(2,15)11(12,13)14/h3-7,15H2,1-2H3,(H,16,20)
InChIKeyFAQIHAPZGKKGNN-UHFFFAOYSA-N
XLogP0.14
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide (CID 79805220) is 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is FAQIHAPZGKKGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2/c1-3-16-9(20)18-6-4-17(5-7-18)8(19)10(2,15)11(12,13)14/h3-7,15H2,1-2H3,(H,16,20).
What are the key properties of 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide?
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 79805220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).