2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone

C24H25N3O3 — CID 141271807

IUPAC2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone
SMILESCc1cc(-c2cc(-c3cccc(OCC(=O)N4CCCCC4)c3)ncn2)ccc1O
InChIInChI=1S/C24H25N3O3/c1-17-12-19(8-9-23(17)28)22-14-21(25-16-26-22)18-6-5-7-20(13-18)30-15-24(29)27-10-3-2-4-11-27/h5-9,12-14,16,28H,2-4,10-11,15H2,1H3
InChIKeyREHPIYMFOGNAGR-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.22
Rot. Bonds5

About 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone

2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 141271807) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID141271807
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone
SMILESCc1cc(-c2cc(-c3cccc(OCC(=O)N4CCCCC4)c3)ncn2)ccc1O
InChIInChI=1S/C24H25N3O3/c1-17-12-19(8-9-23(17)28)22-14-21(25-16-26-22)18-6-5-7-20(13-18)30-15-24(29)27-10-3-2-4-11-27/h5-9,12-14,16,28H,2-4,10-11,15H2,1H3
InChIKeyREHPIYMFOGNAGR-UHFFFAOYSA-N
XLogP4.22
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
2-(4-chlorophenoxy)-1-[4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 50841077
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
1,3-dimethyl-8-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]purin-3-ium-2,6-dione
CID 118986889
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
CID 60906554
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
1,3-dimethyl-8-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]purin-3-ium-2,6-dione
CID 118986888
4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one
CID 135900164

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone (CID 141271807) is 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone is Cc1cc(-c2cc(-c3cccc(OCC(=O)N4CCCCC4)c3)ncn2)ccc1O.
What is the InChIKey of 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is REHPIYMFOGNAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-12-19(8-9-23(17)28)22-14-21(25-16-26-22)18-6-5-7-20(13-18)30-15-24(29)27-10-3-2-4-11-27/h5-9,12-14,16,28H,2-4,10-11,15H2,1H3.
What are the key properties of 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone?
2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 403.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(4-hydroxy-3-methylphenyl)pyrimidin-4-yl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 141271807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).