2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one

C20H24ClN3O4 — CID 121161323

IUPAC2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1nccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN3O4/c1-20(2,28-16-6-4-14(21)5-7-16)18(25)24-12-9-15(10-13-24)27-17-8-11-22-19(23-17)26-3/h4-8,11,15H,9-10,12-13H2,1-3H3
InChIKeyFMROASVPLUUUQH-UHFFFAOYSA-N
MW405.88 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 121161323) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
PubChem CID121161323
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1nccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C20H24ClN3O4/c1-20(2,28-16-6-4-14(21)5-7-16)18(25)24-12-9-15(10-13-24)27-17-8-11-22-19(23-17)26-3/h4-8,11,15H,9-10,12-13H2,1-3H3
InChIKeyFMROASVPLUUUQH-UHFFFAOYSA-N
XLogP3.37
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90639127
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247157
N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
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
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one (CID 121161323) is 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one is COc1nccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is FMROASVPLUUUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c1-20(2,28-16-6-4-14(21)5-7-16)18(25)24-12-9-15(10-13-24)27-17-8-11-22-19(23-17)26-3/h4-8,11,15H,9-10,12-13H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 405.88 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 121161323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).