ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate

C14H17BrN2O3 — CID 2998450

IUPACethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C14H17BrN2O3/c1-2-20-14(19)10-4-3-5-17(9-10)13(18)11-6-12(15)8-16-7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyNRYCLPLDDINGHK-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.26
Rot. Bonds3

About ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 2998450) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
PubChem CID2998450
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Nameethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C14H17BrN2O3/c1-2-20-14(19)10-4-3-5-17(9-10)13(18)11-6-12(15)8-16-7-11/h6-8,10H,2-5,9H2,1H3
InChIKeyNRYCLPLDDINGHK-UHFFFAOYSA-N
XLogP2.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate (CID 2998450) is ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cncc(Br)c2)C1.
What is the InChIKey of ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is NRYCLPLDDINGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-2-20-14(19)10-4-3-5-17(9-10)13(18)11-6-12(15)8-16-7-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 341.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 2998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).