ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate

C21H32N2O3 — CID 75390559

IUPACethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCCC1CC)C(C)c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-4-19-13-9-10-14-23(19)20(24)15-22(16-21(25)26-5-2)17(3)18-11-7-6-8-12-18/h6-8,11-12,17,19H,4-5,9-10,13-16H2,1-3H3
InChIKeyOPSWSLUMKKBKLR-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.40
Rot. Bonds8

About ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate

ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate (PubChem CID 75390559) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate
PubChem CID75390559
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Nameethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCCC1CC)C(C)c1ccccc1
InChIInChI=1S/C21H32N2O3/c1-4-19-13-9-10-14-23(19)20(24)15-22(16-21(25)26-5-2)17(3)18-11-7-6-8-12-18/h6-8,11-12,17,19H,4-5,9-10,13-16H2,1-3H3
InChIKeyOPSWSLUMKKBKLR-UHFFFAOYSA-N
XLogP3.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate (CID 75390559) is ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate is CCOC(=O)CN(CC(=O)N1CCCCC1CC)C(C)c1ccccc1.
What is the InChIKey of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate?
The InChIKey is OPSWSLUMKKBKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-19-13-9-10-14-23(19)20(24)15-22(16-21(25)26-5-2)17(3)18-11-7-6-8-12-18/h6-8,11-12,17,19H,4-5,9-10,13-16H2,1-3H3.
What are the key properties of ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate?
ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate has a molecular weight of 360.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-(1-phenylethyl)amino]acetate is sourced from PubChem (CID 75390559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).