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

C16H20BrNO4 — CID 17230871

IUPACethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(Br)ccc2OC)CC1
InChIInChI=1S/C16H20BrNO4/c1-3-22-16(20)11-6-8-18(9-7-11)15(19)13-10-12(17)4-5-14(13)21-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyADURGAWHHTWZLP-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.87
Rot. Bonds4

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

ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate (PubChem CID 17230871) has the molecular formula C16H20BrNO4 and a molecular weight of 370.24 g/mol. Its IUPAC name is ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
PubChem CID17230871
Molecular FormulaC16H20BrNO4
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Nameethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(Br)ccc2OC)CC1
InChIInChI=1S/C16H20BrNO4/c1-3-22-16(20)11-6-8-18(9-7-11)15(19)13-10-12(17)4-5-14(13)21-2/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyADURGAWHHTWZLP-UHFFFAOYSA-N
XLogP2.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-(2,4-dimethoxy-3-methylbenzoyl)piperidine-4-carboxylate
CID 110763374
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
(5-bromo-2-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 113241159
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
ethyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322202
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate (CID 17230871) is ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(Br)ccc2OC)CC1.
What is the InChIKey of ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is ADURGAWHHTWZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO4/c1-3-22-16(20)11-6-8-18(9-7-11)15(19)13-10-12(17)4-5-14(13)21-2/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate?
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 370.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 17230871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).