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

C18H21N3O2 — CID 121162413

IUPAC(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-13-4-3-5-15(12-13)18(22)21-10-7-16(8-11-21)23-17-6-9-19-14(2)20-17/h3-6,9,12,16H,7-8,10-11H2,1-2H3
InChIKeyNPPZTBFQWMULFP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.78
Rot. Bonds3

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

(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121162413) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121162413
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1
InChIInChI=1S/C18H21N3O2/c1-13-4-3-5-15(12-13)18(22)21-10-7-16(8-11-21)23-17-6-9-19-14(2)20-17/h3-6,9,12,16H,7-8,10-11H2,1-2H3
InChIKeyNPPZTBFQWMULFP-UHFFFAOYSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
CID 121162543
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 121162695
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 121162324

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121162413) is (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC(Oc3ccnc(C)n3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is NPPZTBFQWMULFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-3-5-15(12-13)18(22)21-10-7-16(8-11-21)23-17-6-9-19-14(2)20-17/h3-6,9,12,16H,7-8,10-11H2,1-2H3.
What are the key properties of (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121162413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).