ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate

C13H23NO4 — CID 61150674

IUPACethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(OCC)CC1
InChIInChI=1S/C13H23NO4/c1-3-17-11-7-9-14(10-8-11)12(15)5-6-13(16)18-4-2/h11H,3-10H2,1-2H3
InChIKeyWPLIUALBXYADMG-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.36
Rot. Bonds6

About ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate

ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate (PubChem CID 61150674) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
PubChem CID61150674
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(OCC)CC1
InChIInChI=1S/C13H23NO4/c1-3-17-11-7-9-14(10-8-11)12(15)5-6-13(16)18-4-2/h11H,3-10H2,1-2H3
InChIKeyWPLIUALBXYADMG-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
CID 61215632
ethyl 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoate
CID 58136060
2-(4-aminocyclohexyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 55117063
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
2-(1-aminocyclopentyl)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 64679819
1-(4-ethoxypiperidin-1-yl)-6-methylhept-4-yn-1-one
CID 178164662
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate?
The IUPAC name of ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate (CID 61150674) is ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC(OCC)CC1.
What is the InChIKey of ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate?
The InChIKey is WPLIUALBXYADMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-17-11-7-9-14(10-8-11)12(15)5-6-13(16)18-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate?
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate has a molecular weight of 257.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 61150674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).