[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone

C16H14BrCl2N3O2 — CID 122258823

IUPAC[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C16H14BrCl2N3O2/c17-10-7-20-16(21-8-10)24-12-2-1-5-22(9-12)15(23)13-6-11(18)3-4-14(13)19/h3-4,6-8,12H,1-2,5,9H2
InChIKeyYJPCRVOKJZGKQC-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.23
Rot. Bonds3

About [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone

[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 122258823) has the molecular formula C16H14BrCl2N3O2 and a molecular weight of 431.12 g/mol. Its IUPAC name is [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
PubChem CID122258823
Molecular FormulaC16H14BrCl2N3O2
Molecular Weight431.12 g/mol
Exact Mass428.96
IUPAC Name[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCCC(Oc2ncc(Br)cn2)C1
InChIInChI=1S/C16H14BrCl2N3O2/c17-10-7-20-16(21-8-10)24-12-2-1-5-22(9-12)15(23)13-6-11(18)3-4-14(13)19/h3-4,6-8,12H,1-2,5,9H2
InChIKeyYJPCRVOKJZGKQC-UHFFFAOYSA-N
XLogP4.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257281
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(furan-3-yl)methanone
CID 122258964
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-3-(3-chlorophenyl)propan-1-one
CID 122259026
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258916
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122161002
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 122160997
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327

Frequently Asked Questions

What is the IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone (CID 122258823) is [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCCC(Oc2ncc(Br)cn2)C1.
What is the InChIKey of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is YJPCRVOKJZGKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N3O2/c17-10-7-20-16(21-8-10)24-12-2-1-5-22(9-12)15(23)13-6-11(18)3-4-14(13)19/h3-4,6-8,12H,1-2,5,9H2.
What are the key properties of [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone?
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 431.12 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 122258823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).