2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one

C22H25N5O2 — CID 71497994

IUPAC2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Oc2cc(-n3cnc(-c4ccccc4)c3)ncn2)CC1
InChIInChI=1S/C22H25N5O2/c1-16(2)22(28)26-10-8-18(9-11-26)29-21-12-20(23-14-24-21)27-13-19(25-15-27)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3
InChIKeyIZIRHBWCFUAUAR-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.36
Rot. Bonds5

About 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one

2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 71497994) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID71497994
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Oc2cc(-n3cnc(-c4ccccc4)c3)ncn2)CC1
InChIInChI=1S/C22H25N5O2/c1-16(2)22(28)26-10-8-18(9-11-26)29-21-12-20(23-14-24-21)27-13-19(25-15-27)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3
InChIKeyIZIRHBWCFUAUAR-UHFFFAOYSA-N
XLogP3.36
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

tert-butyl 4-[6-[4-(2-methylsulfanylphenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 71498243
tert-butyl 4-[6-[4-(3,4-dichlorophenyl)imidazol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 71498282
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614
4-[6-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 68756271
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
(3-phenyl-1H-pyrazol-5-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
CID 71798583
2-methyl-1-[3-[(6-phenylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]propan-1-one
CID 154581315
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
CID 118917506
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
2-methyl-1-[4-(quinazolin-4-ylamino)piperidin-1-yl]propan-1-one
CID 39165581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one (CID 71497994) is 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Oc2cc(-n3cnc(-c4ccccc4)c3)ncn2)CC1.
What is the InChIKey of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is IZIRHBWCFUAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)22(28)26-10-8-18(9-11-26)29-21-12-20(23-14-24-21)27-13-19(25-15-27)17-6-4-3-5-7-17/h3-7,12-16,18H,8-11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one?
2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 391.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[6-(4-phenylimidazol-1-yl)pyrimidin-4-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 71497994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).