N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide

C12H22F3N3O — CID 116535670

IUPACN-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(C)CCCC(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-9(4-3-5-12(13,14)15)18-7-6-17-8-10(18)11(19)16-2/h9-10,17H,3-8H2,1-2H3,(H,16,19)
InChIKeyKMPACAYPDFFICU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.13
Rot. Bonds5

About N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide

N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide (PubChem CID 116535670) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide
PubChem CID116535670
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC NameN-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(C)CCCC(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-9(4-3-5-12(13,14)15)18-7-6-17-8-10(18)11(19)16-2/h9-10,17H,3-8H2,1-2H3,(H,16,19)
InChIKeyKMPACAYPDFFICU-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide (CID 116535670) is N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide is CNC(=O)C1CNCCN1C(C)CCCC(F)(F)F.
What is the InChIKey of N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide?
The InChIKey is KMPACAYPDFFICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-9(4-3-5-12(13,14)15)18-7-6-17-8-10(18)11(19)16-2/h9-10,17H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide?
N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazine-2-carboxamide is sourced from PubChem (CID 116535670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).