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

C13H24F3N3O2 — CID 71977283

IUPACN-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCOCCC(C)NC(=O)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-10(4-9-21-3)17-12(20)19-7-5-18(6-8-19)11(2)13(14,15)16/h10-11H,4-9H2,1-3H3,(H,17,20)
InChIKeySGJKIZBWRVQMRI-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.69
Rot. Bonds5

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

N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 71977283) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID71977283
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC NameN-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCOCCC(C)NC(=O)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O2/c1-10(4-9-21-3)17-12(20)19-7-5-18(6-8-19)11(2)13(14,15)16/h10-11H,4-9H2,1-3H3,(H,17,20)
InChIKeySGJKIZBWRVQMRI-UHFFFAOYSA-N
XLogP1.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 71977283) is N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is COCCC(C)NC(=O)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is SGJKIZBWRVQMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-10(4-9-21-3)17-12(20)19-7-5-18(6-8-19)11(2)13(14,15)16/h10-11H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71977283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).