ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate

C11H18BrNO3 — CID 103693267

IUPACethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Br)CC1
InChIInChI=1S/C11H18BrNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3
InChIKeyQWDBAOXOQMLZAQ-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.57
Rot. Bonds3

About ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate

ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate (PubChem CID 103693267) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
PubChem CID103693267
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Nameethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Br)CC1
InChIInChI=1S/C11H18BrNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3
InChIKeyQWDBAOXOQMLZAQ-UHFFFAOYSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2,4-diamino-4-oxobutanoyl)piperidine-4-carboxylate
CID 60846566
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-(3,3,4-trimethylpent-1-en-2-yl)piperidine-4-carboxylate
CID 129182710
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate (CID 103693267) is ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)Br)CC1.
What is the InChIKey of ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate?
The InChIKey is QWDBAOXOQMLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3/c1-3-16-11(15)9-4-6-13(7-5-9)10(14)8(2)12/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate?
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate has a molecular weight of 292.17 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 103693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).