4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C10H18F3N5O2 — CID 104858958

IUPAC4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(C(N)=NO)N1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N5O2/c1-7(8(14)16-20)17-2-4-18(5-3-17)9(19)15-6-10(11,12)13/h7,20H,2-6H2,1H3,(H2,14,16)(H,15,19)
InChIKeyZXRIJKXWELLWHB-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.01
Rot. Bonds3

About 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 104858958) has the molecular formula C10H18F3N5O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID104858958
Molecular FormulaC10H18F3N5O2
Molecular Weight297.28 g/mol
Exact Mass297.14
IUPAC Name4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(C(N)=NO)N1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N5O2/c1-7(8(14)16-20)17-2-4-18(5-3-17)9(19)15-6-10(11,12)13/h7,20H,2-6H2,1H3,(H2,14,16)(H,15,19)
InChIKeyZXRIJKXWELLWHB-UHFFFAOYSA-N
XLogP0.01
TPSA94.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
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'}

Analyze 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 104858958) is 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC(C(N)=NO)N1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is ZXRIJKXWELLWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N5O2/c1-7(8(14)16-20)17-2-4-18(5-3-17)9(19)15-6-10(11,12)13/h7,20H,2-6H2,1H3,(H2,14,16)(H,15,19).
What are the key properties of 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-hydroxyiminopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 104858958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).