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

C21H25FN4O2 — CID 42268601

IUPACN'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H25FN4O2/c22-18-6-8-19(9-7-18)26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,27)(H,24,28)
InChIKeyVSELAUHJGOUCHW-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.38
Rot. Bonds6

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

N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42268601) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42268601
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC NameN'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccc1
InChIInChI=1S/C21H25FN4O2/c22-18-6-8-19(9-7-18)26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,27)(H,24,28)
InChIKeyVSELAUHJGOUCHW-UHFFFAOYSA-N
XLogP1.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.38
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'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N'-[[4-(cyanomethoxy)phenyl]methyl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 167910543
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-phenylmethoxypropanamide
CID 55657806
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide (CID 42268601) is N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is VSELAUHJGOUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-18-6-8-19(9-7-18)26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,27)(H,24,28).
What are the key properties of N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 384.46 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42268601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).