N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid

C21H23F2N3O5 — CID 171154645

IUPACN-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(F)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H21F2N3O.C2H2O4/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21;3-1(4)2(5)6/h1-7,14H,8-13H2,(H,22,25);(H,3,4)(H,5,6)
InChIKeyCUQJRAPPNDCKSY-UHFFFAOYSA-N
MW435.43 g/mol
LogP2.27
Rot. Bonds5

About N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid

N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid (PubChem CID 171154645) has the molecular formula C21H23F2N3O5 and a molecular weight of 435.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
PubChem CID171154645
Molecular FormulaC21H23F2N3O5
Molecular Weight435.43 g/mol
Exact Mass435.16
IUPAC NameN-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(F)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H21F2N3O.C2H2O4/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21;3-1(4)2(5)6/h1-7,14H,8-13H2,(H,22,25);(H,3,4)(H,5,6)
InChIKeyCUQJRAPPNDCKSY-UHFFFAOYSA-N
XLogP2.27
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029946
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 43065834
N-(3-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 33363762
N-(3-fluorophenyl)-2-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]acetamide;hydroiodide
CID 111148742
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109029939
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid?
The IUPAC name of N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid (CID 171154645) is N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid.
What is the SMILES notation for N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid?
The canonical SMILES for N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid is O=C(CCN1CCN(c2ccccc2F)CC1)Nc1cccc(F)c1.O=C(O)C(=O)O.
What is the InChIKey of N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid?
The InChIKey is CUQJRAPPNDCKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O.C2H2O4/c20-15-4-3-5-16(14-15)22-19(25)8-9-23-10-12-24(13-11-23)18-7-2-1-6-17(18)21;3-1(4)2(5)6/h1-7,14H,8-13H2,(H,22,25);(H,3,4)(H,5,6).
What are the key properties of N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid?
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid has a molecular weight of 435.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid is sourced from PubChem (CID 171154645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).