[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

C20H25F3N2O4 — CID 42973524

IUPAC[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H25F3N2O4/c1-3-16-6-4-5-11-25(16)19(28)13(2)29-17(26)12-24-18(27)14-7-9-15(10-8-14)20(21,22)23/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,24,27)
InChIKeyCVKKZXNPXQLLJX-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.16
Rot. Bonds6

About [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate

[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 42973524) has the molecular formula C20H25F3N2O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID42973524
Molecular FormulaC20H25F3N2O4
Molecular Weight414.42 g/mol
Exact Mass414.18
IUPAC Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H25F3N2O4/c1-3-16-6-4-5-11-25(16)19(28)13(2)29-17(26)12-24-18(27)14-7-9-15(10-8-14)20(21,22)23/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,24,27)
InChIKeyCVKKZXNPXQLLJX-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate with MolForge

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Related Compounds

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884861
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 55316250
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734799
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854508
[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(5-chloro-2-pyridinyl)-methylamino]acetate
CID 95345321
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317601
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 75466494
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854648

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate (CID 42973524) is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is CCC1CCCCN1C(=O)C(C)OC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is CVKKZXNPXQLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O4/c1-3-16-6-4-5-11-25(16)19(28)13(2)29-17(26)12-24-18(27)14-7-9-15(10-8-14)20(21,22)23/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,24,27).
What are the key properties of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate?
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 414.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 42973524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).