N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C8H14F3N3O — CID 60891740

IUPACN-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCNCC1
InChIInChI=1S/C8H14F3N3O/c1-13(6-8(9,10)11)7(15)14-4-2-12-3-5-14/h12H,2-6H2,1H3
InChIKeyOBBWWSHFPINNIH-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.51
Rot. Bonds1

About N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 60891740) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID60891740
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCNCC1
InChIInChI=1S/C8H14F3N3O/c1-13(6-8(9,10)11)7(15)14-4-2-12-3-5-14/h12H,2-6H2,1H3
InChIKeyOBBWWSHFPINNIH-UHFFFAOYSA-N
XLogP0.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

n,n-Dimethylpiperazine-1-carboxamide
CID 712909
N-methylpiperazine-1-carboxamide
CID 11672770
n-Ethyl-4-methylpiperazine-1-carboxamide
CID 116045
N,N-Diethylpiperazine-1-carboxamide
CID 67067
1-Piperazinecarboxamide, N-ethyl-4-methyl-, hydrochloride
CID 116044
N,N-diethylpiperazine-1-carboxamide hydrochloride
CID 18590490
N-ethylpiperazine-1-carboxamide
CID 9207783
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
CID 11515061
1-Piperazinecarboxamide, N-[2-(diethylamino)ethyl]-4-methyl-
CID 515599
N,4-dimethylpiperazine-1-carboxamide
CID 349502
N-(propan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 49720610
N-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 49720611

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 60891740) is N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CN(CC(F)(F)F)C(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is OBBWWSHFPINNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-13(6-8(9,10)11)7(15)14-4-2-12-3-5-14/h12H,2-6H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 60891740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).