ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate

C18H25NO4 — CID 110764961

IUPACethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C18H25NO4/c1-5-23-18(21)14-6-8-19(9-7-14)17(20)16-13(3)10-12(2)11-15(16)22-4/h10-11,14H,5-9H2,1-4H3
InChIKeyXDTXUJKWOBFNHO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.73
Rot. Bonds4

About ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate

ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate (PubChem CID 110764961) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
PubChem CID110764961
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(C)cc(C)cc2OC)CC1
InChIInChI=1S/C18H25NO4/c1-5-23-18(21)14-6-8-19(9-7-14)17(20)16-13(3)10-12(2)11-15(16)22-4/h10-11,14H,5-9H2,1-4H3
InChIKeyXDTXUJKWOBFNHO-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812720
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-(4,5-dimethylfuran-2-carbonyl)piperidine-4-carboxylate
CID 110697653
ethyl 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504305
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate (CID 110764961) is ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(C)cc(C)cc2OC)CC1.
What is the InChIKey of ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate?
The InChIKey is XDTXUJKWOBFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-5-23-18(21)14-6-8-19(9-7-14)17(20)16-13(3)10-12(2)11-15(16)22-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110764961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).