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

C18H21N3O3 — CID 122261254

IUPAC[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccccc3C)C2)n1
InChIInChI=1S/C18H21N3O3/c1-13-6-3-4-8-15(13)17(22)21-11-5-7-14(12-21)24-16-9-10-19-18(20-16)23-2/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3
InChIKeyOYGXKXFYLFESDV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.48
Rot. Bonds4

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

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 122261254) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID122261254
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccccc3C)C2)n1
InChIInChI=1S/C18H21N3O3/c1-13-6-3-4-8-15(13)17(22)21-11-5-7-14(12-21)24-16-9-10-19-18(20-16)23-2/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3
InChIKeyOYGXKXFYLFESDV-UHFFFAOYSA-N
XLogP2.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)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-phenoxyphenyl)methanone
CID 122261212
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
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-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone (CID 122261254) is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone is COc1nccc(OC2CCCN(C(=O)c3ccccc3C)C2)n1.
What is the InChIKey of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is OYGXKXFYLFESDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-6-3-4-8-15(13)17(22)21-11-5-7-14(12-21)24-16-9-10-19-18(20-16)23-2/h3-4,6,8-10,14H,5,7,11-12H2,1-2H3.
What are the key properties of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone?
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 122261254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).