(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C16H15BrClN3O2 — CID 122257281

IUPAC(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H15BrClN3O2/c17-11-4-5-14(18)13(9-11)15(22)21-8-1-3-12(10-21)23-16-19-6-2-7-20-16/h2,4-7,9,12H,1,3,8,10H2
InChIKeyIHHYCNJIXSEVGG-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.58
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122257281) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122257281
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC Name(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H15BrClN3O2/c17-11-4-5-14(18)13(9-11)15(22)21-8-1-3-12(10-21)23-16-19-6-2-7-20-16/h2,4-7,9,12H,1,3,8,10H2
InChIKeyIHHYCNJIXSEVGG-UHFFFAOYSA-N
XLogP3.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 122258823
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(1-methyl-3-phenylpyrazol-5-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257218
2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
[(3R)-3-[(4-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(2-pyrimidin-2-ylthiophen-3-yl)methanone
CID 144697950

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122257281) is (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1cc(Br)ccc1Cl)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is IHHYCNJIXSEVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2/c17-11-4-5-14(18)13(9-11)15(22)21-8-1-3-12(10-21)23-16-19-6-2-7-20-16/h2,4-7,9,12H,1,3,8,10H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 396.67 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122257281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).