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

C23H33N3O5 — CID 3847843

IUPACethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C23H33N3O5/c1-2-30-21(27)11-7-4-8-14-24-22(28)25-15-12-19(13-16-25)26-17-20(31-23(26)29)18-9-5-3-6-10-18/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3,(H,24,28)
InChIKeySERFUKCAMCSCPL-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.48
Rot. Bonds9

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

ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate (PubChem CID 3847843) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
PubChem CID3847843
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Nameethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1
InChIInChI=1S/C23H33N3O5/c1-2-30-21(27)11-7-4-8-14-24-22(28)25-15-12-19(13-16-25)26-17-20(31-23(26)29)18-9-5-3-6-10-18/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3,(H,24,28)
InChIKeySERFUKCAMCSCPL-UHFFFAOYSA-N
XLogP3.48
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
The IUPAC name of ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate (CID 3847843) is ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate.
What is the SMILES notation for ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
The canonical SMILES for ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate is CCOC(=O)CCCCCNC(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1.
What is the InChIKey of ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
The InChIKey is SERFUKCAMCSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-2-30-21(27)11-7-4-8-14-24-22(28)25-15-12-19(13-16-25)26-17-20(31-23(26)29)18-9-5-3-6-10-18/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3,(H,24,28).
What are the key properties of ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate?
ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate has a molecular weight of 431.53 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate is sourced from PubChem (CID 3847843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).