ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate

C15H27NO5 — CID 60776132

IUPACethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
SMILESCCOCCOC1CCN(C(=O)CCC(=O)OCC)CC1
InChIInChI=1S/C15H27NO5/c1-3-19-11-12-21-13-7-9-16(10-8-13)14(17)5-6-15(18)20-4-2/h13H,3-12H2,1-2H3
InChIKeyDMQVEEHVXUQWPY-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.37
Rot. Bonds9

About ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate

ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate (PubChem CID 60776132) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
PubChem CID60776132
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nameethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
SMILESCCOCCOC1CCN(C(=O)CCC(=O)OCC)CC1
InChIInChI=1S/C15H27NO5/c1-3-19-11-12-21-13-7-9-16(10-8-13)14(17)5-6-15(18)20-4-2/h13H,3-12H2,1-2H3
InChIKeyDMQVEEHVXUQWPY-UHFFFAOYSA-N
XLogP1.37
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-oxo-4-(piperidin-1-yl)butanoate
CID 245435
Ethyl 4-oxo-4-(piperidin-1-yl)butanoate
CID 245452
1-[3-(Ethoxycarbonyl)propionyl]-4-piperidone
CID 22395371
2-Acetyloxyethyl 4-[4,4-bis(2-acetyloxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 59859131
4-[4,4-Bis(2-acetyloxyethoxy)piperidin-1-yl]-4-oxobutanoic acid
CID 59859138
(1-Acetylpiperidin-4-yl) butanoate
CID 70288356
2-Acetyloxyethyl 4-[4-(2-acetyloxyethoxy)-4-(2-formyloxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 91614769
Ethane;propan-2-yl 4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 171843387
Propan-2-yl 4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 171843388
4-Propan-2-yloxy-1-(4-propan-2-yloxypiperidin-1-yl)butan-1-one
CID 172494069
Butan-2-yl 4-(4-methylpiperazin-1-yl)-4-oxobutanoate
CID 175626970
2-Methoxyethyl 4-(dipropylamino)-4-oxobutanoate
CID 176613675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate (CID 60776132) is ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate is CCOCCOC1CCN(C(=O)CCC(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate?
The InChIKey is DMQVEEHVXUQWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-3-19-11-12-21-13-7-9-16(10-8-13)14(17)5-6-15(18)20-4-2/h13H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate?
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate has a molecular weight of 301.38 g/mol, XLogP of 1.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 60776132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).