N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide

C11H20F3N3O — CID 58171847

IUPACN-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-10(2,3)15-9(18)17-6-5-16(4)8(7-17)11(12,13)14/h8H,5-7H2,1-4H3,(H,15,18)
InChIKeyGJSHUXKSTXNTGD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.67
Rot. Bonds

About N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide

N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide (PubChem CID 58171847) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
PubChem CID58171847
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c1-10(2,3)15-9(18)17-6-5-16(4)8(7-17)11(12,13)14/h8H,5-7H2,1-4H3,(H,15,18)
InChIKeyGJSHUXKSTXNTGD-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide (CID 58171847) is N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NC(C)(C)C)CC1C(F)(F)F.
What is the InChIKey of N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
The InChIKey is GJSHUXKSTXNTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-10(2,3)15-9(18)17-6-5-16(4)8(7-17)11(12,13)14/h8H,5-7H2,1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-3-(trifluoromethyl)piperazine-1-carboxamide is sourced from PubChem (CID 58171847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).