methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate

C14H17BrN2O3 — CID 166391031

IUPACmethyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C14H17BrN2O3/c1-20-14(19)12-4-2-3-7-17(12)13(18)8-11-6-5-10(15)9-16-11/h5-6,9,12H,2-4,7-8H2,1H3/t12-/m1/s1
InChIKeyUKWLXIWVUJHCIZ-GFCCVEGCSA-N
MW341.21 g/mol
LogP1.94
Rot. Bonds3

About methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate

methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate (PubChem CID 166391031) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
PubChem CID166391031
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Namemethyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C14H17BrN2O3/c1-20-14(19)12-4-2-3-7-17(12)13(18)8-11-6-5-10(15)9-16-11/h5-6,9,12H,2-4,7-8H2,1H3/t12-/m1/s1
InChIKeyUKWLXIWVUJHCIZ-GFCCVEGCSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
methyl 1-(5-bromopyridine-2-carbonyl)piperidine-2-carboxylate
CID 55152128
methyl 1-[2-(3-bromophenyl)acetyl]piperidine-2-carboxylate
CID 78991759
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
methyl (2R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidine-2-carboxylate
CID 79835771
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
methyl 1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-2-carboxylate
CID 62000438
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate (CID 166391031) is methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(Br)cn1.
What is the InChIKey of methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate?
The InChIKey is UKWLXIWVUJHCIZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-20-14(19)12-4-2-3-7-17(12)13(18)8-11-6-5-10(15)9-16-11/h5-6,9,12H,2-4,7-8H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate has a molecular weight of 341.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 166391031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).