tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate

C15H21BrN2O3 — CID 163321047

IUPACtert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccc(Br)c(=O)[nH]2)C1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(20)18-8-4-5-10(9-18)12-7-6-11(16)13(19)17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyOGXVTNNTSCFSSV-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.25
Rot. Bonds1

About tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate

tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate (PubChem CID 163321047) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
PubChem CID163321047
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Nametert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2ccc(Br)c(=O)[nH]2)C1
InChIInChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(20)18-8-4-5-10(9-18)12-7-6-11(16)13(19)17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyOGXVTNNTSCFSSV-UHFFFAOYSA-N
XLogP3.25
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
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CID 162467774
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-[(2,6-dibromoanilino)methyl]piperidine-1-carboxylate
CID 107597491
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
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CID 69433067
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl 3-(6-bromo-5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 155348177
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate (CID 163321047) is tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2ccc(Br)c(=O)[nH]2)C1.
What is the InChIKey of tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
The InChIKey is OGXVTNNTSCFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-15(2,3)21-14(20)18-8-4-5-10(9-18)12-7-6-11(16)13(19)17-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate has a molecular weight of 357.25 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-bromo-6-oxo-1H-pyridin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 163321047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).