N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C18H24F3N3O2 — CID 108501383

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)N1
InChIInChI=1S/C18H24F3N3O2/c1-16(2)9-13(10-17(3,4)24-16)23-15(26)14(25)22-12-7-5-6-11(8-12)18(19,20)21/h5-8,13,24H,9-10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZPQPRGKHHLWOER-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.07
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108501383) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108501383
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)N1
InChIInChI=1S/C18H24F3N3O2/c1-16(2)9-13(10-17(3,4)24-16)23-15(26)14(25)22-12-7-5-6-11(8-12)18(19,20)21/h5-8,13,24H,9-10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZPQPRGKHHLWOER-UHFFFAOYSA-N
XLogP3.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522496
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522018
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 35292688
N'-(4-acetylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108514763
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N'-(4-cyanophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 71590626
N-ethyl-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2251553
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 38114118
N'-(2,6-difluorophenyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501381
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 108501383) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide is CC1(C)CC(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is ZPQPRGKHHLWOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-16(2)9-13(10-17(3,4)24-16)23-15(26)14(25)22-12-7-5-6-11(8-12)18(19,20)21/h5-8,13,24H,9-10H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 371.40 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108501383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).