(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone

C16H15Cl2N3O2 — CID 122259322

IUPAC(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-4-1-3-11(7-12)15(22)21-6-2-5-14(10-21)23-16-19-8-13(18)9-20-16/h1,3-4,7-9,14H,2,5-6,10H2
InChIKeyQHFGREONHGNFLP-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.47
Rot. Bonds3

About (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone

(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122259322) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122259322
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-4-1-3-11(7-12)15(22)21-6-2-5-14(10-21)23-16-19-8-13(18)9-20-16/h1,3-4,7-9,14H,2,5-6,10H2
InChIKeyQHFGREONHGNFLP-UHFFFAOYSA-N
XLogP3.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 119100812
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122267298
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 122243582
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267106
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122259322) is (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is QHFGREONHGNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-4-1-3-11(7-12)15(22)21-6-2-5-14(10-21)23-16-19-8-13(18)9-20-16/h1,3-4,7-9,14H,2,5-6,10H2.
What are the key properties of (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 352.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122259322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).