ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate

C13H23NO4 — CID 103484627

IUPACethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCC(C)C(O)C1
InChIInChI=1S/C13H23NO4/c1-3-18-13(17)5-4-11(15)8-14-7-6-10(2)12(16)9-14/h10,12,16H,3-9H2,1-2H3
InChIKeyNBBGGVQRLSLHFV-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.60
Rot. Bonds6

About ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate

ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate (PubChem CID 103484627) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
PubChem CID103484627
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN1CCC(C)C(O)C1
InChIInChI=1S/C13H23NO4/c1-3-18-13(17)5-4-11(15)8-14-7-6-10(2)12(16)9-14/h10,12,16H,3-9H2,1-2H3
InChIKeyNBBGGVQRLSLHFV-UHFFFAOYSA-N
XLogP0.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate (CID 103484627) is ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate is CCOC(=O)CCC(=O)CN1CCC(C)C(O)C1.
What is the InChIKey of ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate?
The InChIKey is NBBGGVQRLSLHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-3-18-13(17)5-4-11(15)8-14-7-6-10(2)12(16)9-14/h10,12,16H,3-9H2,1-2H3.
What are the key properties of ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate?
ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate has a molecular weight of 257.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-hydroxy-4-methylpiperidin-1-yl)-4-oxopentanoate is sourced from PubChem (CID 103484627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).