N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C15H19F3N4O2 — CID 3066940

IUPACN-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N4O2/c1-19-13(23)20(2)14(24)22-8-6-21(7-9-22)12-5-3-4-11(10-12)15(16,17)18/h3-5,10H,6-9H2,1-2H3,(H,19,23)
InChIKeyCOBRAKDQYDEVHF-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.22
Rot. Bonds1

About N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 3066940) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID3066940
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCNC(=O)N(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N4O2/c1-19-13(23)20(2)14(24)22-8-6-21(7-9-22)12-5-3-4-11(10-12)15(16,17)18/h3-5,10H,6-9H2,1-2H3,(H,19,23)
InChIKeyCOBRAKDQYDEVHF-UHFFFAOYSA-N
XLogP2.22
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 3066940) is N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CNC(=O)N(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is COBRAKDQYDEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-19-13(23)20(2)14(24)22-8-6-21(7-9-22)12-5-3-4-11(10-12)15(16,17)18/h3-5,10H,6-9H2,1-2H3,(H,19,23).
What are the key properties of N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylcarbamoyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 3066940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).