ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate

C15H27NO4 — CID 70373350

IUPACethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCC1CCCN(C(C)C(=O)OCC)C1
InChIInChI=1S/C15H27NO4/c1-4-19-14(17)9-8-13-7-6-10-16(11-13)12(3)15(18)20-5-2/h12-13H,4-11H2,1-3H3
InChIKeyVSYZBIPFLPIIDQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.99
Rot. Bonds7

About ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate

ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate (PubChem CID 70373350) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
PubChem CID70373350
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCC1CCCN(C(C)C(=O)OCC)C1
InChIInChI=1S/C15H27NO4/c1-4-19-14(17)9-8-13-7-6-10-16(11-13)12(3)15(18)20-5-2/h12-13H,4-11H2,1-3H3
InChIKeyVSYZBIPFLPIIDQ-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
ethyl 2-(3-methylpiperidin-1-yl)propanoate
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ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
CID 64663422
ethyl (2S)-2-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propanoate
CID 124628859
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
ethyl 4-piperidin-1-ylpentanoate
CID 67188448

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate (CID 70373350) is ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate is CCOC(=O)CCC1CCCN(C(C)C(=O)OCC)C1.
What is the InChIKey of ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate?
The InChIKey is VSYZBIPFLPIIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-19-14(17)9-8-13-7-6-10-16(11-13)12(3)15(18)20-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate?
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate has a molecular weight of 285.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 70373350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).