ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate

C13H21NO5 — CID 165479052

IUPACethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N1CCC(OC2COC2)CC1
InChIInChI=1S/C13H21NO5/c1-2-18-13(16)7-12(15)14-5-3-10(4-6-14)19-11-8-17-9-11/h10-11H,2-9H2,1H3
InChIKeyZZYXVFHTGXWZJA-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.35
Rot. Bonds5

About ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate

ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate (PubChem CID 165479052) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate
PubChem CID165479052
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)N1CCC(OC2COC2)CC1
InChIInChI=1S/C13H21NO5/c1-2-18-13(16)7-12(15)14-5-3-10(4-6-14)19-11-8-17-9-11/h10-11H,2-9H2,1H3
InChIKeyZZYXVFHTGXWZJA-UHFFFAOYSA-N
XLogP0.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
ethyl 3-oxo-4-(oxolan-3-yloxy)butanoate
CID 63892437
3-O-(1,3-dioxan-5-yl) 1-O-ethyl propanedioate
CID 141453669
3-(4-ethoxypiperidin-1-yl)-3-oxopropanethioamide
CID 61215632
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
4-(oxetan-3-yloxy)cyclohexane-1-carbohydrazide
CID 140551112
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941022
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylic acid
CID 67082647
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate (CID 165479052) is ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate is CCOC(=O)CC(=O)N1CCC(OC2COC2)CC1.
What is the InChIKey of ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate?
The InChIKey is ZZYXVFHTGXWZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-2-18-13(16)7-12(15)14-5-3-10(4-6-14)19-11-8-17-9-11/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate?
ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate has a molecular weight of 271.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(oxetan-3-yloxy)piperidin-1-yl]-3-oxopropanoate is sourced from PubChem (CID 165479052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).