N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide

C18H26FN3O2 — CID 56806714

IUPACN-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide
SMILESCCCCN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-3-4-9-22-10-7-14(8-11-22)20-17(23)18(24)21-16-12-13(2)5-6-15(16)19/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCVZVNHHGFRFUHX-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.45
Rot. Bonds5

About N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide

N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide (PubChem CID 56806714) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide
PubChem CID56806714
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide
SMILESCCCCN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-3-4-9-22-10-7-14(8-11-22)20-17(23)18(24)21-16-12-13(2)5-6-15(16)19/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyCVZVNHHGFRFUHX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
CID 56806715
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N-(1-butylpiperidin-4-yl)-N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]oxamide
CID 75392019
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide
CID 108532604
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
CID 56803513
ethyl 4-[[2-(2-bromo-4-methylanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531772
2-hydroxy-4-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 60664803
N-(1-butylpiperidin-4-yl)-5-chloro-1H-indazole-3-carboxamide
CID 138995778

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide (CID 56806714) is N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide is CCCCN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2F)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide?
The InChIKey is CVZVNHHGFRFUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-3-4-9-22-10-7-14(8-11-22)20-17(23)18(24)21-16-12-13(2)5-6-15(16)19/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide?
N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide has a molecular weight of 335.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-N'-(2-fluoro-5-methylphenyl)oxamide is sourced from PubChem (CID 56806714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).