(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone

C17H16F3N3O3 — CID 122257463

IUPAC(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-13-5-1-4-12(10-13)15(24)23-9-2-6-14(11-23)25-16-21-7-3-8-22-16/h1,3-5,7-8,10,14H,2,6,9,11H2
InChIKeyGCQHLAOAPLHTSE-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.06
Rot. Bonds4

About (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone

(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 122257463) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID122257463
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)26-13-5-1-4-12(10-13)15(24)23-9-2-6-14(11-23)25-16-21-7-3-8-22-16/h1,3-5,7-8,10,14H,2,6,9,11H2
InChIKeyGCQHLAOAPLHTSE-UHFFFAOYSA-N
XLogP3.06
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122261504
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267106
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
(3-bromophenyl)-[3-[[3-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 46029037
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
(1-oxidopyridin-1-ium-3-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257432
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
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 129356131

Frequently Asked Questions

What is the IUPAC name of (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone (CID 122257463) is (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone is O=C(c1cccc(OC(F)(F)F)c1)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is GCQHLAOAPLHTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)26-13-5-1-4-12(10-13)15(24)23-9-2-6-14(11-23)25-16-21-7-3-8-22-16/h1,3-5,7-8,10,14H,2,6,9,11H2.
What are the key properties of (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone?
(3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 367.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrimidin-2-yloxypiperidin-1-yl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 122257463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).