3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C10H18F3N3O — CID 116656025

IUPAC3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC(F)(F)F)CC1(C)C
InChIInChI=1S/C10H18F3N3O/c1-9(2)7-16(5-4-15(9)3)8(17)14-6-10(11,12)13/h4-7H2,1-3H3,(H,14,17)
InChIKeyFMSMNLSHABOMLV-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.28
Rot. Bonds1

About 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 116656025) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID116656025
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC(F)(F)F)CC1(C)C
InChIInChI=1S/C10H18F3N3O/c1-9(2)7-16(5-4-15(9)3)8(17)14-6-10(11,12)13/h4-7H2,1-3H3,(H,14,17)
InChIKeyFMSMNLSHABOMLV-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-N-(2,2,2-trifluoroethyl)pyrrolidine-1,3-dicarboxamide
CID 114070516
1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 64592806
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
4-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115643195
4-methyl-4-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614555
2-[2,2,2-trifluoroethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]acetic acid
CID 79264645
4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47401631
(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 78946628
2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 63615863
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 63615862
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
(2S,3S)-3-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614221

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 116656025) is 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCC(F)(F)F)CC1(C)C.
What is the InChIKey of 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is FMSMNLSHABOMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(2)7-16(5-4-15(9)3)8(17)14-6-10(11,12)13/h4-7H2,1-3H3,(H,14,17).
What are the key properties of 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 116656025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).