[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone

C23H23N3O3 — CID 121162565

IUPAC[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1
InChIInChI=1S/C23H23N3O3/c1-17-24-14-11-22(25-17)29-21-12-15-26(16-13-21)23(27)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-11,14,21H,12-13,15-16H2,1H3
InChIKeyFUFXFCJQYDBTNZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.26
Rot. Bonds5

About [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone

[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 121162565) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID121162565
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1
InChIInChI=1S/C23H23N3O3/c1-17-24-14-11-22(25-17)29-21-12-15-26(16-13-21)23(27)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-11,14,21H,12-13,15-16H2,1H3
InChIKeyFUFXFCJQYDBTNZ-UHFFFAOYSA-N
XLogP4.26
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
CID 121162543
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 121162695
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
CID 122260909
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121162324
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone (CID 121162565) is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone is Cc1nccc(OC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is FUFXFCJQYDBTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-24-14-11-22(25-17)29-21-12-15-26(16-13-21)23(27)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19/h2-11,14,21H,12-13,15-16H2,1H3.
What are the key properties of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone?
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 389.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 121162565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).