N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide

C10H15F6N3O — CID 11515061

IUPACN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H15F6N3O/c1-8(9(11,12)13,10(14,15)16)17-7(20)19-5-3-18(2)4-6-19/h3-6H2,1-2H3,(H,17,20)
InChIKeyNJDBIJLENGFDSR-UHFFFAOYSA-N
MW307.24 g/mol
LogP1.83
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide

N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide (PubChem CID 11515061) has the molecular formula C10H15F6N3O and a molecular weight of 307.24 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
PubChem CID11515061
Molecular FormulaC10H15F6N3O
Molecular Weight307.24 g/mol
Exact Mass307.11
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H15F6N3O/c1-8(9(11,12)13,10(14,15)16)17-7(20)19-5-3-18(2)4-6-19/h3-6H2,1-2H3,(H,17,20)
InChIKeyNJDBIJLENGFDSR-UHFFFAOYSA-N
XLogP1.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide (CID 11515061) is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide?
The InChIKey is NJDBIJLENGFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6N3O/c1-8(9(11,12)13,10(14,15)16)17-7(20)19-5-3-18(2)4-6-19/h3-6H2,1-2H3,(H,17,20).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide?
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide has a molecular weight of 307.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 11515061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).