methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate

C24H25F3N2O5 — CID 160956583

IUPACmethyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(CC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C24H25F3N2O5/c1-33-22(31)13-28-23(32)29-14-16(12-21(30)18-5-3-2-4-6-18)11-19(15-29)17-7-9-20(10-8-17)34-24(25,26)27/h2-10,16,19H,11-15H2,1H3,(H,28,32)
InChIKeySWLUFYHEDXXWOE-UHFFFAOYSA-N
MW478.47 g/mol
LogP4.15
Rot. Bonds7

About methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate

methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate (PubChem CID 160956583) has the molecular formula C24H25F3N2O5 and a molecular weight of 478.47 g/mol. Its IUPAC name is methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
PubChem CID160956583
Molecular FormulaC24H25F3N2O5
Molecular Weight478.47 g/mol
Exact Mass478.17
IUPAC Namemethyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CC(CC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C24H25F3N2O5/c1-33-22(31)13-28-23(32)29-14-16(12-21(30)18-5-3-2-4-6-18)11-19(15-29)17-7-9-20(10-8-17)34-24(25,26)27/h2-10,16,19H,11-15H2,1H3,(H,28,32)
InChIKeySWLUFYHEDXXWOE-UHFFFAOYSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
CID 66761299
1-[3-phenacyl-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 159789290
1-[3-phenacyl-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 149233217
CID 175394563
CID 175394563
1-(morpholine-4-carbonyl)-N-(2-oxopropyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 160589844
methyl 2-[1-[[4-(trifluoromethyl)phenyl]methyl]-5-[4-(trifluoromethylsulfonyloxy)phenyl]piperidin-3-yl]acetate
CID 175732931
methyl 2-[(3S,5S)-1-[[4-(trifluoromethyl)phenyl]methyl]-5-[4-(trifluoromethylsulfonyloxy)phenyl]piperidin-3-yl]acetate
CID 170542049
methyl 2-[(4-benzamidopiperidine-1-carbonyl)amino]acetate
CID 142124553
2-(oxan-4-yl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 114969179
(4-methylphenyl)-[[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]methyl]carbamic acid
CID 68762970
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 114971356

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate (CID 160956583) is methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CC(CC(=O)c2ccccc2)CC(c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
The InChIKey is SWLUFYHEDXXWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O5/c1-33-22(31)13-28-23(32)29-14-16(12-21(30)18-5-3-2-4-6-18)11-19(15-29)17-7-9-20(10-8-17)34-24(25,26)27/h2-10,16,19H,11-15H2,1H3,(H,28,32).
What are the key properties of methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate?
methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate has a molecular weight of 478.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-phenacyl-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 160956583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).