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

C15H21FN4O2 — CID 42269225

IUPACN'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O2/c1-17-14(21)15(22)18-6-7-19-8-10-20(11-9-19)13-5-3-2-4-12(13)16/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyARGHFCDPGMZWSF-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.19
Rot. Bonds4

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

N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide (PubChem CID 42269225) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
PubChem CID42269225
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC NameN'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O2/c1-17-14(21)15(22)18-6-7-19-8-10-20(11-9-19)13-5-3-2-4-12(13)16/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyARGHFCDPGMZWSF-UHFFFAOYSA-N
XLogP-0.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.19
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'-(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'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269158
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
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
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42267156
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6626200

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide?
The IUPAC name of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide (CID 42269225) is N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide.
What is the SMILES notation for N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide?
The canonical SMILES for N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide is CNC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide?
The InChIKey is ARGHFCDPGMZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-17-14(21)15(22)18-6-7-19-8-10-20(11-9-19)13-5-3-2-4-12(13)16/h2-5H,6-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide?
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide has a molecular weight of 308.36 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide is sourced from PubChem (CID 42269225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).