N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

C18H26FN3O2 — CID 16886589

IUPACN'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)22-9-7-15(8-10-22)12-21-18(24)17(23)20-11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMYTCWHSPYYLTJG-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.68
Rot. Bonds5

About N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886589) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886589
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c1-13(2)22-9-7-15(8-10-22)12-21-18(24)17(23)20-11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMYTCWHSPYYLTJG-UHFFFAOYSA-N
XLogP1.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886589) is N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is MYTCWHSPYYLTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(2)22-9-7-15(8-10-22)12-21-18(24)17(23)20-11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 335.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).