ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate

C17H29N3O4 — CID 46596887

IUPACethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC(=O)N(CC(C)C)C2)CC1
InChIInChI=1S/C17H29N3O4/c1-4-24-17(23)19-7-5-14(6-8-19)18-16(22)13-9-15(21)20(11-13)10-12(2)3/h12-14H,4-11H2,1-3H3,(H,18,22)
InChIKeyFVLYKPDFWVTFPG-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.23
Rot. Bonds5

About ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 46596887) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID46596887
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC(=O)N(CC(C)C)C2)CC1
InChIInChI=1S/C17H29N3O4/c1-4-24-17(23)19-7-5-14(6-8-19)18-16(22)13-9-15(21)20(11-13)10-12(2)3/h12-14H,4-11H2,1-3H3,(H,18,22)
InChIKeyFVLYKPDFWVTFPG-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 46596887) is ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC(=O)N(CC(C)C)C2)CC1.
What is the InChIKey of ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is FVLYKPDFWVTFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-4-24-17(23)19-7-5-14(6-8-19)18-16(22)13-9-15(21)20(11-13)10-12(2)3/h12-14H,4-11H2,1-3H3,(H,18,22).
What are the key properties of ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 46596887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).