[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C18H18F3N3O3 — CID 121161309

IUPAC[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C18H18F3N3O3/c1-26-17-22-9-6-15(23-17)27-14-7-10-24(11-8-14)16(25)12-2-4-13(5-3-12)18(19,20)21/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyRSGNTYKOVOXDMP-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.19
Rot. Bonds4

About [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 121161309) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID121161309
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C18H18F3N3O3/c1-26-17-22-9-6-15(23-17)27-14-7-10-24(11-8-14)16(25)12-2-4-13(5-3-12)18(19,20)21/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyRSGNTYKOVOXDMP-UHFFFAOYSA-N
XLogP3.19
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121161503
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(2,5-dimethylfuran-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161386
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161436
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161197
(4-tert-butylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625430

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 121161309) is [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RSGNTYKOVOXDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-26-17-22-9-6-15(23-17)27-14-7-10-24(11-8-14)16(25)12-2-4-13(5-3-12)18(19,20)21/h2-6,9,14H,7-8,10-11H2,1H3.
What are the key properties of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 381.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121161309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).