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

C19H23N3O3 — CID 122261258

IUPAC(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-13-6-7-15(11-14(13)2)18(23)22-10-4-5-16(12-22)25-17-8-9-20-19(21-17)24-3/h6-9,11,16H,4-5,10,12H2,1-3H3
InChIKeyBBPCCIPGCFXTJL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.79
Rot. Bonds4

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

(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 122261258) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID122261258
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3ccc(C)c(C)c3)C2)n1
InChIInChI=1S/C19H23N3O3/c1-13-6-7-15(11-14(13)2)18(23)22-10-4-5-16(12-22)25-17-8-9-20-19(21-17)24-3/h6-9,11,16H,4-5,10,12H2,1-3H3
InChIKeyBBPCCIPGCFXTJL-UHFFFAOYSA-N
XLogP2.79
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261199
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122261521
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122261504
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 122261258) is (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1nccc(OC2CCCN(C(=O)c3ccc(C)c(C)c3)C2)n1.
What is the InChIKey of (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is BBPCCIPGCFXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-6-7-15(11-14(13)2)18(23)22-10-4-5-16(12-22)25-17-8-9-20-19(21-17)24-3/h6-9,11,16H,4-5,10,12H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122261258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).