N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide

C11H19F3N4O2 — CID 77099596

IUPACN'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N4O2/c1-8(10(15)16-20)17-4-6-18(7-5-17)9(19)2-3-11(12,13)14/h8,20H,2-7H2,1H3,(H2,15,16)
InChIKeyCLWRUXWZMYEFBU-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.61
Rot. Bonds4

About N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide (PubChem CID 77099596) has the molecular formula C11H19F3N4O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide
PubChem CID77099596
Molecular FormulaC11H19F3N4O2
Molecular Weight296.29 g/mol
Exact Mass296.15
IUPAC NameN'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N4O2/c1-8(10(15)16-20)17-4-6-18(7-5-17)9(19)2-3-11(12,13)14/h8,20H,2-7H2,1H3,(H2,15,16)
InChIKeyCLWRUXWZMYEFBU-UHFFFAOYSA-N
XLogP0.61
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012386
N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
CID 77015089
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
4,4,4-trifluoro-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-one
CID 75391487
4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493123
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012457
2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989
N'-hydroxy-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012625

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide (CID 77099596) is N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide?
The InChIKey is CLWRUXWZMYEFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2/c1-8(10(15)16-20)17-4-6-18(7-5-17)9(19)2-3-11(12,13)14/h8,20H,2-7H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide has a molecular weight of 296.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77099596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).