ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate

C19H33N3O5 — CID 5182979

IUPACethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)N1CCC(N2CC(CC)OC2=O)CC1
InChIInChI=1S/C19H33N3O5/c1-3-16-14-22(19(25)27-16)15-9-12-21(13-10-15)18(24)20-11-7-5-6-8-17(23)26-4-2/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyAPUYIJBIIGPZGR-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.51
Rot. Bonds9

About ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate

ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate (PubChem CID 5182979) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
PubChem CID5182979
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Nameethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)N1CCC(N2CC(CC)OC2=O)CC1
InChIInChI=1S/C19H33N3O5/c1-3-16-14-22(19(25)27-16)15-9-12-21(13-10-15)18(24)20-11-7-5-6-8-17(23)26-4-2/h15-16H,3-14H2,1-2H3,(H,20,24)
InChIKeyAPUYIJBIIGPZGR-UHFFFAOYSA-N
XLogP2.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate with MolForge

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Related Compounds

ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
CID 3847843
ethyl 4-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]butanoate
CID 3861830
ethyl (4S)-3-[1-[(4-ethoxy-4-oxobutyl)carbamothioyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74228058
4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 5198504
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
ethyl 4-[[4-(difluoromethylidene)piperidine-1-carbonyl]amino]butanoate
CID 136572249
ethyl 4-[[N-methyl-C-(3-morpholin-4-ylpyrrolidin-1-yl)carbonimidoyl]amino]butanoate
CID 111727507
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590
ethyl 1-[N-(7-ethoxy-7-oxoheptyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157486
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
The IUPAC name of ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate (CID 5182979) is ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate.
What is the SMILES notation for ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
The canonical SMILES for ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate is CCOC(=O)CCCCCNC(=O)N1CCC(N2CC(CC)OC2=O)CC1.
What is the InChIKey of ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
The InChIKey is APUYIJBIIGPZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-3-16-14-22(19(25)27-16)15-9-12-21(13-10-15)18(24)20-11-7-5-6-8-17(23)26-4-2/h15-16H,3-14H2,1-2H3,(H,20,24).
What are the key properties of ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate has a molecular weight of 383.49 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate is sourced from PubChem (CID 5182979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).