ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate

C13H23NO3 — CID 63282257

IUPACethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)9-8-12(15)14-10(2)6-5-7-11(14)3/h10-11H,4-9H2,1-3H3
InChIKeyFCQZRKAQTIPCSF-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.12
Rot. Bonds4

About ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate

ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate (PubChem CID 63282257) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
PubChem CID63282257
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H23NO3/c1-4-17-13(16)9-8-12(15)14-10(2)6-5-7-11(14)3/h10-11H,4-9H2,1-3H3
InChIKeyFCQZRKAQTIPCSF-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004
ethyl 1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 7205149
4-O-cyclobutyl 1-O-ethyl butanedioate
CID 91702391
1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one
CID 62833376
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 58689259
ethyl 3-(2-methylcyclopentyl)propanoate
CID 21041510
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-(methylamino)butan-1-one
CID 93314949
ethyl 4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutanoate
CID 106668262
ethyl 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]acetate
CID 104967849
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
ethyl 4-[(2,6-dimethylcyclohexyl)amino]butanoate
CID 64580844
1-(2,6-dimethylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 110688696

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate?
The IUPAC name of ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate (CID 63282257) is ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate is CCOC(=O)CCC(=O)N1C(C)CCCC1C.
What is the InChIKey of ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate?
The InChIKey is FCQZRKAQTIPCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-17-13(16)9-8-12(15)14-10(2)6-5-7-11(14)3/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate?
ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate has a molecular weight of 241.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate is sourced from PubChem (CID 63282257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).