ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate

C18H25NO5 — CID 110763374

IUPACethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C18H25NO5/c1-5-24-18(21)13-8-10-19(11-9-13)17(20)14-6-7-15(22-3)12(2)16(14)23-4/h6-7,13H,5,8-11H2,1-4H3
InChIKeyDVLMNUUANBAVOK-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.43
Rot. Bonds5

About ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate

ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 110763374) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
PubChem CID110763374
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nameethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(OC)c(C)c2OC)CC1
InChIInChI=1S/C18H25NO5/c1-5-24-18(21)13-8-10-19(11-9-13)17(20)14-6-7-15(22-3)12(2)16(14)23-4/h6-7,13H,5,8-11H2,1-4H3
InChIKeyDVLMNUUANBAVOK-UHFFFAOYSA-N
XLogP2.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 110763375
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
cyclopropyl-[4-(2,4-dimethoxy-3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806504
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate (CID 110763374) is ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(C)c2OC)CC1.
What is the InChIKey of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is DVLMNUUANBAVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-5-24-18(21)13-8-10-19(11-9-13)17(20)14-6-7-15(22-3)12(2)16(14)23-4/h6-7,13H,5,8-11H2,1-4H3.
What are the key properties of ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate?
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 110763374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).