N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide

C20H23FN4O2 — CID 42268330

IUPACN'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-16-6-8-17(9-7-16)23-20(27)19(26)22-10-11-24-12-14-25(15-13-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,26)(H,23,27)
InChIKeyDHLUNUSCZUYTMM-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.70
Rot. Bonds5

About N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide

N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (PubChem CID 42268330) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
PubChem CID42268330
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-16-6-8-17(9-7-16)23-20(27)19(26)22-10-11-24-12-14-25(15-13-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,26)(H,23,27)
InChIKeyDHLUNUSCZUYTMM-UHFFFAOYSA-N
XLogP1.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
N'-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268704
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
(E)-3-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30885116
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
2-(4-fluorophenoxy)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 46601982

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide (CID 42268330) is N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is DHLUNUSCZUYTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-6-8-17(9-7-16)23-20(27)19(26)22-10-11-24-12-14-25(15-13-24)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,22,26)(H,23,27).
What are the key properties of N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide?
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 370.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 42268330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).