N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide

C17H23F2N3O2 — CID 56806715

IUPACN-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
SMILESCCCCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-2-3-8-22-9-6-13(7-10-22)20-16(23)17(24)21-15-5-4-12(18)11-14(15)19/h4-5,11,13H,2-3,6-10H2,1H3,(H,20,23)(H,21,24)
InChIKeySXLXJWUUYFQNDC-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.28
Rot. Bonds5

About N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide

N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide (PubChem CID 56806715) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
PubChem CID56806715
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
SMILESCCCCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-2-3-8-22-9-6-13(7-10-22)20-16(23)17(24)21-15-5-4-12(18)11-14(15)19/h4-5,11,13H,2-3,6-10H2,1H3,(H,20,23)(H,21,24)
InChIKeySXLXJWUUYFQNDC-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.28
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-fluoro-5-methylphenyl)oxamide
CID 56806714
N'-(5-fluoro-2-methylphenyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxamide
CID 56803513
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94503931
N-(1-butylpiperidin-4-yl)-N'-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]oxamide
CID 75392019
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 127228015

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide (CID 56806715) is N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide is CCCCN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide?
The InChIKey is SXLXJWUUYFQNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-2-3-8-22-9-6-13(7-10-22)20-16(23)17(24)21-15-5-4-12(18)11-14(15)19/h4-5,11,13H,2-3,6-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide?
N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide has a molecular weight of 339.39 g/mol, XLogP of 2.28, 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'-(2,4-difluorophenyl)oxamide is sourced from PubChem (CID 56806715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).