N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide

C18H27FN4O2 — CID 2925162

IUPACN-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN4O2/c1-14(2)21-18(25)17(24)20-7-8-22-9-11-23(12-10-22)13-15-5-3-4-6-16(15)19/h3-6,14H,7-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVHXPUVMUBXGIKA-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.58
Rot. Bonds6

About N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide

N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide (PubChem CID 2925162) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
PubChem CID2925162
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC NameN-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C18H27FN4O2/c1-14(2)21-18(25)17(24)20-7-8-22-9-11-23(12-10-22)13-15-5-3-4-6-16(15)19/h3-6,14H,7-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyVHXPUVMUBXGIKA-UHFFFAOYSA-N
XLogP0.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide 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 N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide (CID 2925162) is N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCCN1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
The InChIKey is VHXPUVMUBXGIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c1-14(2)21-18(25)17(24)20-7-8-22-9-11-23(12-10-22)13-15-5-3-4-6-16(15)19/h3-6,14H,7-13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide?
N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide has a molecular weight of 350.44 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 2925162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).