[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C18H16ClF3N2O2 — CID 122256222

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C18H16ClF3N2O2/c19-15-10-23-8-7-16(15)26-14-2-1-9-24(11-14)17(25)12-3-5-13(6-4-12)18(20,21)22/h3-8,10,14H,1-2,9,11H2
InChIKeyHVVNKLCATGCGKL-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.44
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 122256222) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID122256222
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C18H16ClF3N2O2/c19-15-10-23-8-7-16(15)26-14-2-1-9-24(11-14)17(25)12-3-5-13(6-4-12)18(20,21)22/h3-8,10,14H,1-2,9,11H2
InChIKeyHVVNKLCATGCGKL-UHFFFAOYSA-N
XLogP4.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122256475
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(diethylamino)phenyl]methanone
CID 122256407
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122161002
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 122256214
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
[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

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 122256222) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HVVNKLCATGCGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-15-10-23-8-7-16(15)26-14-2-1-9-24(11-14)17(25)12-3-5-13(6-4-12)18(20,21)22/h3-8,10,14H,1-2,9,11H2.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 384.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 122256222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).