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

C21H22FN5O2 — CID 42268645

IUPACN'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FN5O2/c22-17-5-7-18(8-6-17)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-19-4-2-1-3-16(19)15-23/h1-8H,9-14H2,(H,24,28)(H,25,29)
InChIKeyGAWAVZYLQTXCCJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.57
Rot. Bonds5

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

N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42268645) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42268645
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESN#Cc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FN5O2/c22-17-5-7-18(8-6-17)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-19-4-2-1-3-16(19)15-23/h1-8H,9-14H2,(H,24,28)(H,25,29)
InChIKeyGAWAVZYLQTXCCJ-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-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269158
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55678936

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide (CID 42268645) is N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide is N#Cc1ccccc1NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is GAWAVZYLQTXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-17-5-7-18(8-6-17)27-13-11-26(12-14-27)10-9-24-20(28)21(29)25-19-4-2-1-3-16(19)15-23/h1-8H,9-14H2,(H,24,28)(H,25,29).
What are the key properties of N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
N'-(2-cyanophenyl)-N-[2-[4-(4-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-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42268645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).