ethyl 3-(4-oxopiperidin-1-yl)propanoate

C10H17NO3 — CID 11984242

IUPACethyl 3-(4-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C10H17NO3/c1-2-14-10(13)5-8-11-6-3-9(12)4-7-11/h2-8H2,1H3
InChIKeyKYBGYVYGAHECAE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.60
Rot. Bonds4

About ethyl 3-(4-oxopiperidin-1-yl)propanoate

ethyl 3-(4-oxopiperidin-1-yl)propanoate (PubChem CID 11984242) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-(4-oxopiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-oxopiperidin-1-yl)propanoate
PubChem CID11984242
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-(4-oxopiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCC(=O)CC1
InChIInChI=1S/C10H17NO3/c1-2-14-10(13)5-8-11-6-3-9(12)4-7-11/h2-8H2,1H3
InChIKeyKYBGYVYGAHECAE-UHFFFAOYSA-N
XLogP0.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxopiperidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(4-oxopiperidin-1-yl)propanoate (CID 11984242) is ethyl 3-(4-oxopiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-oxopiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(4-oxopiperidin-1-yl)propanoate is CCOC(=O)CCN1CCC(=O)CC1.
What is the InChIKey of ethyl 3-(4-oxopiperidin-1-yl)propanoate?
The InChIKey is KYBGYVYGAHECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-14-10(13)5-8-11-6-3-9(12)4-7-11/h2-8H2,1H3.
What are the key properties of ethyl 3-(4-oxopiperidin-1-yl)propanoate?
ethyl 3-(4-oxopiperidin-1-yl)propanoate has a molecular weight of 199.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxopiperidin-1-yl)propanoate is sourced from PubChem (CID 11984242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).