3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one

C23H27NO4 — CID 78851712

IUPAC3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(OCCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27NO4/c1-16-3-8-21(17(2)15-16)28-14-11-22(26)24-12-9-19(10-13-24)23(27)18-4-6-20(25)7-5-18/h3-8,15,19,25H,9-14H2,1-2H3
InChIKeyYOZITPFTXSVZOA-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.90
Rot. Bonds6

About 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one

3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 78851712) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
PubChem CID78851712
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCc1ccc(OCCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C23H27NO4/c1-16-3-8-21(17(2)15-16)28-14-11-22(26)24-12-9-19(10-13-24)23(27)18-4-6-20(25)7-5-18/h3-8,15,19,25H,9-14H2,1-2H3
InChIKeyYOZITPFTXSVZOA-UHFFFAOYSA-N
XLogP3.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 119519131
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 134035369
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 124611665
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,4-dimethylphenoxy)propan-1-one
CID 119663321
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one;hydrochloride
CID 120817690
3-(4-bromo-2-methylphenoxy)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 4740063
3-(2,4-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 86927635
3-(2,4-dimethylphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575300
3-(2,4-dimethylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578824
3-(2,4-dimethylphenoxy)-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 124594599

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one (CID 78851712) is 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one is Cc1ccc(OCCC(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is YOZITPFTXSVZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16-3-8-21(17(2)15-16)28-14-11-22(26)24-12-9-19(10-13-24)23(27)18-4-6-20(25)7-5-18/h3-8,15,19,25H,9-14H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one?
3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 381.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 78851712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).