butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate

C13H23NO3 — CID 114508947

IUPACbutyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(=O)C(CC)C1
InChIInChI=1S/C13H23NO3/c1-3-5-8-17-13(16)10-14-7-6-12(15)11(4-2)9-14/h11H,3-10H2,1-2H3
InChIKeyCPYDWIHWEDTXOE-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds6

About butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate

butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate (PubChem CID 114508947) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
PubChem CID114508947
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namebutyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(=O)C(CC)C1
InChIInChI=1S/C13H23NO3/c1-3-5-8-17-13(16)10-14-7-6-12(15)11(4-2)9-14/h11H,3-10H2,1-2H3
InChIKeyCPYDWIHWEDTXOE-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
butyl 2-(3-methylpiperidin-1-yl)acetate
CID 60683573
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
butyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetate
CID 103936769
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
butyl 2-(3-amino-4-methylpyrrolidin-1-yl)acetate
CID 103576801
butyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 66392719
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
The IUPAC name of butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate (CID 114508947) is butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
The canonical SMILES for butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate is CCCCOC(=O)CN1CCC(=O)C(CC)C1.
What is the InChIKey of butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
The InChIKey is CPYDWIHWEDTXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-8-17-13(16)10-14-7-6-12(15)11(4-2)9-14/h11H,3-10H2,1-2H3.
What are the key properties of butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate?
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate has a molecular weight of 241.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 114508947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).