(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone

C10H12BrN3O — CID 102922724

IUPAC(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCCC(Br)C1
InChIInChI=1S/C10H12BrN3O/c11-9-2-1-3-14(6-9)10(15)8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2
InChIKeyQUFMWGTXKHBIOT-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.48
Rot. Bonds1

About (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone

(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone (PubChem CID 102922724) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
PubChem CID102922724
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCCC(Br)C1
InChIInChI=1S/C10H12BrN3O/c11-9-2-1-3-14(6-9)10(15)8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2
InChIKeyQUFMWGTXKHBIOT-UHFFFAOYSA-N
XLogP1.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.48
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

1-(pyrimidine-5-carbonyl)piperidine-3-carbothioamide
CID 102921864
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
[(4R)-4-tert-butylazepan-1-yl]-pyrimidin-5-ylmethanone
CID 125137843
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
CID 104672542

Frequently Asked Questions

What is the IUPAC name of (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone (CID 102922724) is (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCCC(Br)C1.
What is the InChIKey of (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone?
The InChIKey is QUFMWGTXKHBIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-9-2-1-3-14(6-9)10(15)8-4-12-7-13-5-8/h4-5,7,9H,1-3,6H2.
What are the key properties of (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone?
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone has a molecular weight of 270.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).