ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate

C26H30N4O6 — CID 70053739

IUPACethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate
SMILESCCOC(=O)COC1CCN(C(=O)CNC(=O)c2ccc(C3=NC(c4ccccc4)ON3)cc2)CC1
InChIInChI=1S/C26H30N4O6/c1-2-34-23(32)17-35-21-12-14-30(15-13-21)22(31)16-27-25(33)19-10-8-18(9-11-19)24-28-26(36-29-24)20-6-4-3-5-7-20/h3-11,21,26H,2,12-17H2,1H3,(H,27,33)(H,28,29)
InChIKeyCCLSQDDRTFSIJD-UHFFFAOYSA-N
MW494.55 g/mol
LogP1.97
Rot. Bonds9

About ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate

ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate (PubChem CID 70053739) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate
PubChem CID70053739
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Nameethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate
SMILESCCOC(=O)COC1CCN(C(=O)CNC(=O)c2ccc(C3=NC(c4ccccc4)ON3)cc2)CC1
InChIInChI=1S/C26H30N4O6/c1-2-34-23(32)17-35-21-12-14-30(15-13-21)22(31)16-27-25(33)19-10-8-18(9-11-19)24-28-26(36-29-24)20-6-4-3-5-7-20/h3-11,21,26H,2,12-17H2,1H3,(H,27,33)(H,28,29)
InChIKeyCCLSQDDRTFSIJD-UHFFFAOYSA-N
XLogP1.97
TPSA118.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate with MolForge

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Related Compounds

ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]oxyacetate
CID 23369999
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
benzyl 3-(2-ethoxy-2-oxoethoxy)pyrrolidine-1-carboxylate
CID 175933691
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60574366
ethyl 2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetate
CID 10811208
ethyl 4-[5-(2-fluorophenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzoate
CID 170268852
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate (CID 70053739) is ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate is CCOC(=O)COC1CCN(C(=O)CNC(=O)c2ccc(C3=NC(c4ccccc4)ON3)cc2)CC1.
What is the InChIKey of ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate?
The InChIKey is CCLSQDDRTFSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-2-34-23(32)17-35-21-12-14-30(15-13-21)22(31)16-27-25(33)19-10-8-18(9-11-19)24-28-26(36-29-24)20-6-4-3-5-7-20/h3-11,21,26H,2,12-17H2,1H3,(H,27,33)(H,28,29).
What are the key properties of ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate?
ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate has a molecular weight of 494.55 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-[[4-(5-phenyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)benzoyl]amino]acetyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 70053739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).