N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide

C17H20F3N3O4 — CID 75271196

IUPACN-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide
SMILESCN(CC(=O)NCc1ccccc1OC(F)(F)F)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C17H20F3N3O4/c1-23(16(26)12-6-7-14(24)21-9-12)10-15(25)22-8-11-4-2-3-5-13(11)27-17(18,19)20/h2-5,12H,6-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyNEEOTCBXKLPZPF-UHFFFAOYSA-N
MW387.36 g/mol
LogP1.19
Rot. Bonds6

About N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide

N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide (PubChem CID 75271196) has the molecular formula C17H20F3N3O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide
PubChem CID75271196
Molecular FormulaC17H20F3N3O4
Molecular Weight387.36 g/mol
Exact Mass387.14
IUPAC NameN-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide
SMILESCN(CC(=O)NCc1ccccc1OC(F)(F)F)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C17H20F3N3O4/c1-23(16(26)12-6-7-14(24)21-9-12)10-15(25)22-8-11-4-2-3-5-13(11)27-17(18,19)20/h2-5,12H,6-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyNEEOTCBXKLPZPF-UHFFFAOYSA-N
XLogP1.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
CID 24566510
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51286450
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24568076
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 73420162
N-benzyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 74464257
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728353
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24566367
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 38512223
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 30094410
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 86894637

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide (CID 75271196) is N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide is CN(CC(=O)NCc1ccccc1OC(F)(F)F)C(=O)C1CCC(=O)NC1.
What is the InChIKey of N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide?
The InChIKey is NEEOTCBXKLPZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4/c1-23(16(26)12-6-7-14(24)21-9-12)10-15(25)22-8-11-4-2-3-5-13(11)27-17(18,19)20/h2-5,12H,6-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide?
N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 75271196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).