N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide

C17H23F2N3O2 — CID 95351012

IUPACN'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide
SMILESC[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)CN1CCCCC1
InChIInChI=1S/C17H23F2N3O2/c1-12(11-22-7-3-2-4-8-22)10-20-16(23)17(24)21-15-6-5-13(18)9-14(15)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyZDZVXBSRULOXJM-LBPRGKRZSA-N
MW339.39 g/mol
LogP2.14
Rot. Bonds5

About N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide

N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide (PubChem CID 95351012) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide
PubChem CID95351012
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide
SMILESC[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)CN1CCCCC1
InChIInChI=1S/C17H23F2N3O2/c1-12(11-22-7-3-2-4-8-22)10-20-16(23)17(24)21-15-6-5-13(18)9-14(15)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)(H,21,24)/t12-/m0/s1
InChIKeyZDZVXBSRULOXJM-LBPRGKRZSA-N
XLogP2.14
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 ≤ 52.14
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'-(2-ethoxyphenyl)-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
CID 95342156
N'-(4-methylphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)oxamide
CID 60530240
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 16932562
N'-(2,4-difluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 51640989
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
N-(2-fluoro-4-methylphenyl)-2-[[(2R)-1-piperidin-1-ylpropan-2-yl]amino]acetamide
CID 95200536
N-(2-fluoro-4-methylphenyl)-2-(1-piperidin-1-ylpropan-2-ylamino)acetamide
CID 56712249
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 95341968
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide (CID 95351012) is N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide is C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1F)CN1CCCCC1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
The InChIKey is ZDZVXBSRULOXJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-12(11-22-7-3-2-4-8-22)10-20-16(23)17(24)21-15-6-5-13(18)9-14(15)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,20,23)(H,21,24)/t12-/m0/s1.
What are the key properties of N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide has a molecular weight of 339.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]oxamide is sourced from PubChem (CID 95351012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).