(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

C19H23N3O4 — CID 121162428

IUPAC(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-13-20-7-4-18(21-13)26-15-5-8-22(9-6-15)19(23)14-10-16(24-2)12-17(11-14)25-3/h4,7,10-12,15H,5-6,8-9H2,1-3H3
InChIKeyPMGIPRYDLNBHNX-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.49
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121162428) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121162428
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-13-20-7-4-18(21-13)26-15-5-8-22(9-6-15)19(23)14-10-16(24-2)12-17(11-14)25-3/h4,7,10-12,15H,5-6,8-9H2,1-3H3
InChIKeyPMGIPRYDLNBHNX-UHFFFAOYSA-N
XLogP2.49
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
CID 121162543
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 121162695
(3,5-dimethoxyphenyl)-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417295
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121162428) is (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is PMGIPRYDLNBHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-20-7-4-18(21-13)26-15-5-8-22(9-6-15)19(23)14-10-16(24-2)12-17(11-14)25-3/h4,7,10-12,15H,5-6,8-9H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121162428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).