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

C21H22FN5O2 — CID 42269158

IUPACN'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H22FN5O2/c22-17-6-2-4-8-19(17)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-18-7-3-1-5-16(18)15-23/h1-8H,9-14H2,(H,24,28)(H,25,29)
InChIKeyKJSMMKDQHSCXGZ-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.57
Rot. Bonds5

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

N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42269158) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42269158
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H22FN5O2/c22-17-6-2-4-8-19(17)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-18-7-3-1-5-16(18)15-23/h1-8H,9-14H2,(H,24,28)(H,25,29)
InChIKeyKJSMMKDQHSCXGZ-UHFFFAOYSA-N
XLogP1.57
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193
N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269136
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-methyl-4-nitrophenyl)oxamide
CID 42390086
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-(2-cyanophenyl)-N-propyloxamide
CID 7292742
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide (CID 42269158) is N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is KJSMMKDQHSCXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-17-6-2-4-8-19(17)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-18-7-3-1-5-16(18)15-23/h1-8H,9-14H2,(H,24,28)(H,25,29).
What are the key properties of N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 395.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42269158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).