N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide

C14H17FN4O2 — CID 2855032

IUPACN-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN4O2/c1-19-8-6-12(7-9-19)17-18-14(21)13(20)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H,16,20)(H,18,21)
InChIKeyHUSVODBQXJDLAB-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.96
Rot. Bonds2

About N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide

N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (PubChem CID 2855032) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
PubChem CID2855032
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide
SMILESCN1CCC(=NNC(=O)C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN4O2/c1-19-8-6-12(7-9-19)17-18-14(21)13(20)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H,16,20)(H,18,21)
InChIKeyHUSVODBQXJDLAB-UHFFFAOYSA-N
XLogP0.96
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide (CID 2855032) is N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is CN1CCC(=NNC(=O)C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
The InChIKey is HUSVODBQXJDLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-19-8-6-12(7-9-19)17-18-14(21)13(20)16-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide?
N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide has a molecular weight of 292.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(1-methylpiperidin-4-ylidene)amino]oxamide is sourced from PubChem (CID 2855032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).