ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate

C17H32N2O4 — CID 70459372

IUPACethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate
SMILESCCOC(=O)C(CC)NC1CCN(C(CC)C(=O)OCC)CC1
InChIInChI=1S/C17H32N2O4/c1-5-14(16(20)22-7-3)18-13-9-11-19(12-10-13)15(6-2)17(21)23-8-4/h13-15,18H,5-12H2,1-4H3
InChIKeyJNZPHAWIIXSLQO-UHFFFAOYSA-N
MW328.45 g/mol
LogP1.72
Rot. Bonds9

About ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate

ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate (PubChem CID 70459372) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate
PubChem CID70459372
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nameethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate
SMILESCCOC(=O)C(CC)NC1CCN(C(CC)C(=O)OCC)CC1
InChIInChI=1S/C17H32N2O4/c1-5-14(16(20)22-7-3)18-13-9-11-19(12-10-13)15(6-2)17(21)23-8-4/h13-15,18H,5-12H2,1-4H3
InChIKeyJNZPHAWIIXSLQO-UHFFFAOYSA-N
XLogP1.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate?
The IUPAC name of ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate (CID 70459372) is ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate.
What is the SMILES notation for ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate?
The canonical SMILES for ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate is CCOC(=O)C(CC)NC1CCN(C(CC)C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate?
The InChIKey is JNZPHAWIIXSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-5-14(16(20)22-7-3)18-13-9-11-19(12-10-13)15(6-2)17(21)23-8-4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate?
ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate has a molecular weight of 328.45 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(1-ethoxy-1-oxobutan-2-yl)piperidin-4-yl]amino]butanoate is sourced from PubChem (CID 70459372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).