ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate

C18H25NO4 — CID 110761989

IUPACethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(CC)ccc2OC)CC1
InChIInChI=1S/C18H25NO4/c1-4-13-6-7-16(22-3)15(12-13)17(20)19-10-8-14(9-11-19)18(21)23-5-2/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyHTWGLUXJGMDLMR-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.67
Rot. Bonds5

About ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate

ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 110761989) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID110761989
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(CC)ccc2OC)CC1
InChIInChI=1S/C18H25NO4/c1-4-13-6-7-16(22-3)15(12-13)17(20)19-10-8-14(9-11-19)18(21)23-5-2/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyHTWGLUXJGMDLMR-UHFFFAOYSA-N
XLogP2.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
ethyl 1-[N-[(4-methoxy-3-methoxycarbonylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157724
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
(5-ethyl-2-methoxyphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 95732304
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate (CID 110761989) is ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(CC)ccc2OC)CC1.
What is the InChIKey of ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is HTWGLUXJGMDLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-13-6-7-16(22-3)15(12-13)17(20)19-10-8-14(9-11-19)18(21)23-5-2/h6-7,12,14H,4-5,8-11H2,1-3H3.
What are the key properties of ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110761989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).