(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C20H25N3O2 — CID 121161842

IUPAC(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(Oc3ccncn3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-6-4-15(5-7-16)19(24)23-12-9-17(10-13-23)25-18-8-11-21-14-22-18/h4-8,11,14,17H,9-10,12-13H2,1-3H3
InChIKeyUZDUDDSZJYJYCO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds3

About (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121161842) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121161842
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(Oc3ccncn3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)16-6-4-15(5-7-16)19(24)23-12-9-17(10-13-23)25-18-8-11-21-14-22-18/h4-8,11,14,17H,9-10,12-13H2,1-3H3
InChIKeyUZDUDDSZJYJYCO-UHFFFAOYSA-N
XLogP3.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)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

(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
(4-methylthiophen-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162010
(4-tert-butylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91625430
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121161309
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121161842) is (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is CC(C)(C)c1ccc(C(=O)N2CCC(Oc3ccncn3)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is UZDUDDSZJYJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)16-6-4-15(5-7-16)19(24)23-12-9-17(10-13-23)25-18-8-11-21-14-22-18/h4-8,11,14,17H,9-10,12-13H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121161842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).