N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide

C7H12F3N3O — CID 58171987

IUPACN-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O/c1-11-6(14)13-3-2-12-5(4-13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,14)
InChIKeyPKCPVEBOCYEAIF-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.16
Rot. Bonds

About N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide

N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide (PubChem CID 58171987) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
PubChem CID58171987
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC NameN-methyl-3-(trifluoromethyl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N3O/c1-11-6(14)13-3-2-12-5(4-13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,14)
InChIKeyPKCPVEBOCYEAIF-UHFFFAOYSA-N
XLogP0.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide (CID 58171987) is N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide is CNC(=O)N1CCNC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
The InChIKey is PKCPVEBOCYEAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c1-11-6(14)13-3-2-12-5(4-13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,14).
What are the key properties of N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide?
N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide has a molecular weight of 211.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)piperazine-1-carboxamide is sourced from PubChem (CID 58171987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).