N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

C15H28F3N3O2 — CID 71861942

IUPACN-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3O2/c1-11(10-14(3,4)23-5)19-13(22)21-8-6-20(7-9-21)12(2)15(16,17)18/h11-12H,6-10H2,1-5H3,(H,19,22)
InChIKeyRKQLUQQBGHNMHI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.47
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 71861942) has the molecular formula C15H28F3N3O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID71861942
Molecular FormulaC15H28F3N3O2
Molecular Weight339.40 g/mol
Exact Mass339.21
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3O2/c1-11(10-14(3,4)23-5)19-13(22)21-8-6-20(7-9-21)12(2)15(16,17)18/h11-12H,6-10H2,1-5H3,(H,19,22)
InChIKeyRKQLUQQBGHNMHI-UHFFFAOYSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 71861942) is N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is COC(C)(C)CC(C)NC(=O)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is RKQLUQQBGHNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O2/c1-11(10-14(3,4)23-5)19-13(22)21-8-6-20(7-9-21)12(2)15(16,17)18/h11-12H,6-10H2,1-5H3,(H,19,22).
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71861942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).