(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone

C17H15Cl2FN2O2 — CID 122256291

IUPAC(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H15Cl2FN2O2/c18-14-8-11(20)3-4-13(14)17(23)22-7-1-2-12(10-22)24-16-5-6-21-9-15(16)19/h3-6,8-9,12H,1-2,7,10H2
InChIKeySSAXMBXCCWYILW-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.21
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 122256291) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID122256291
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C17H15Cl2FN2O2/c18-14-8-11(20)3-4-13(14)17(23)22-7-1-2-12(10-22)24-16-5-6-21-9-15(16)19/h3-6,8-9,12H,1-2,7,10H2
InChIKeySSAXMBXCCWYILW-UHFFFAOYSA-N
XLogP4.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
CID 122243483
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
(2-chloro-4-fluorophenyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267530

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone (CID 122256291) is (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is SSAXMBXCCWYILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-14-8-11(20)3-4-13(14)17(23)22-7-1-2-12(10-22)24-16-5-6-21-9-15(16)19/h3-6,8-9,12H,1-2,7,10H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 369.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 122256291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).