ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate

C17H21N3O5 — CID 23794461

IUPACethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C17H21N3O5/c1-2-24-16(22)19-9-7-12(8-10-19)18-15(21)11-20-13-5-3-4-6-14(13)25-17(20)23/h3-6,12H,2,7-11H2,1H3,(H,18,21)
InChIKeyCDSHHRVBAVJFNZ-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.33
Rot. Bonds4

About ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 23794461) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID23794461
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Nameethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C17H21N3O5/c1-2-24-16(22)19-9-7-12(8-10-19)18-15(21)11-20-13-5-3-4-6-14(13)25-17(20)23/h3-6,12H,2,7-11H2,1H3,(H,18,21)
InChIKeyCDSHHRVBAVJFNZ-UHFFFAOYSA-N
XLogP1.33
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 17413485
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 45194204
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentylacetamide
CID 43447858
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 99838523
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]acetamide
CID 91631669
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9286106
ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 78639869
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 23794461) is ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2c(=O)oc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is CDSHHRVBAVJFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-2-24-16(22)19-9-7-12(8-10-19)18-15(21)11-20-13-5-3-4-6-14(13)25-17(20)23/h3-6,12H,2,7-11H2,1H3,(H,18,21).
What are the key properties of ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 23794461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).