ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate

C14H25NO3 — CID 62614238

IUPACethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C14H25NO3/c1-4-14(3)8-10-15(11-9-14)12(16)6-7-13(17)18-5-2/h4-11H2,1-3H3
InChIKeyXIPFZLFMCVXUKB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds5

About ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate

ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate (PubChem CID 62614238) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
PubChem CID62614238
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C14H25NO3/c1-4-14(3)8-10-15(11-9-14)12(16)6-7-13(17)18-5-2/h4-11H2,1-3H3
InChIKeyXIPFZLFMCVXUKB-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-oxo-4-[4-(4-oxopentanoyl)piperazin-1-yl]butanoate
CID 108570118
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
ethyl 4-(3-carbamoyl-3-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 114081822
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 107160140
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416
1-(4-ethyl-4-methylpiperidin-1-yl)-2-(propylamino)ethanone
CID 63159977

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate?
The IUPAC name of ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate (CID 62614238) is ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC(C)(CC)CC1.
What is the InChIKey of ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate?
The InChIKey is XIPFZLFMCVXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-14(3)8-10-15(11-9-14)12(16)6-7-13(17)18-5-2/h4-11H2,1-3H3.
What are the key properties of ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate?
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 62614238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).