N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide

C18H26FN3O3 — CID 16886674

IUPACN'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3/c1-25-11-10-22-8-6-15(7-9-22)13-21-18(24)17(23)20-12-14-2-4-16(19)5-3-14/h2-5,15H,6-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyVVNTVBCNCTVBIS-UHFFFAOYSA-N
MW351.42 g/mol
LogP0.92
Rot. Bonds7

About N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886674) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886674
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O3/c1-25-11-10-22-8-6-15(7-9-22)13-21-18(24)17(23)20-12-14-2-4-16(19)5-3-14/h2-5,15H,6-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyVVNTVBCNCTVBIS-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (CID 16886674) is N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is COCCN1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is VVNTVBCNCTVBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-25-11-10-22-8-6-15(7-9-22)13-21-18(24)17(23)20-12-14-2-4-16(19)5-3-14/h2-5,15H,6-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 351.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).