[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone

C23H23N3O4 — CID 122261212

IUPAC[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccccc3Oc3ccccc3)C2)n1
InChIInChI=1S/C23H23N3O4/c1-28-23-24-14-13-21(25-23)30-18-10-7-15-26(16-18)22(27)19-11-5-6-12-20(19)29-17-8-3-2-4-9-17/h2-6,8-9,11-14,18H,7,10,15-16H2,1H3
InChIKeyUOYLTENQJJLWFQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.96
Rot. Bonds6

About [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 122261212) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID122261212
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccccc3Oc3ccccc3)C2)n1
InChIInChI=1S/C23H23N3O4/c1-28-23-24-14-13-21(25-23)30-18-10-7-15-26(16-18)22(27)19-11-5-6-12-20(19)29-17-8-3-2-4-9-17/h2-6,8-9,11-14,18H,7,10,15-16H2,1H3
InChIKeyUOYLTENQJJLWFQ-UHFFFAOYSA-N
XLogP3.96
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122261217
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122261504
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone (CID 122261212) is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone is COc1nccc(OC2CCCN(C(=O)c3ccccc3Oc3ccccc3)C2)n1.
What is the InChIKey of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is UOYLTENQJJLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-23-24-14-13-21(25-23)30-18-10-7-15-26(16-18)22(27)19-11-5-6-12-20(19)29-17-8-3-2-4-9-17/h2-6,8-9,11-14,18H,7,10,15-16H2,1H3.
What are the key properties of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 405.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 122261212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).