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

C15H17BrClNO3 — CID 78849118

IUPACethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C15H17BrClNO3/c1-2-21-15(20)10-5-7-18(8-6-10)14(19)12-9-11(17)3-4-13(12)16/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDREKYRDZHYKHQJ-UHFFFAOYSA-N
MW374.66 g/mol
LogP3.52
Rot. Bonds3

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

ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 78849118) has the molecular formula C15H17BrClNO3 and a molecular weight of 374.66 g/mol. Its IUPAC name is ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID78849118
Molecular FormulaC15H17BrClNO3
Molecular Weight374.66 g/mol
Exact Mass373.01
IUPAC Nameethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1
InChIInChI=1S/C15H17BrClNO3/c1-2-21-15(20)10-5-7-18(8-6-10)14(19)12-9-11(17)3-4-13(12)16/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDREKYRDZHYKHQJ-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
(3R)-1-(2-bromo-5-chlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 124677279
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
(2-bromo-5-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113221419
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
ethyl 1-(5-bromo-2-methoxybenzoyl)piperidine-4-carboxylate
CID 17230871
1-(2-bromo-5-chlorobenzoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864334
ethyl 1-[2-(5-chloro-2-hydroxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 8604247

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate (CID 78849118) is ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(Cl)ccc2Br)CC1.
What is the InChIKey of ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is DREKYRDZHYKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO3/c1-2-21-15(20)10-5-7-18(8-6-10)14(19)12-9-11(17)3-4-13(12)16/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 374.66 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 78849118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).