5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one

C24H30N2O4 — CID 52859774

IUPAC5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
SMILESCc1ccc(C)c(OCCCCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1
InChIInChI=1S/C24H30N2O4/c1-18-9-10-19(2)22(16-18)30-15-4-3-8-23(28)25-11-13-26(14-12-25)24(29)20-6-5-7-21(27)17-20/h5-7,9-10,16-17,27H,3-4,8,11-15H2,1-2H3
InChIKeyDLCWKUMFGJPYRX-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.54
Rot. Bonds7

About 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one

5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one (PubChem CID 52859774) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
PubChem CID52859774
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
SMILESCc1ccc(C)c(OCCCCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1
InChIInChI=1S/C24H30N2O4/c1-18-9-10-19(2)22(16-18)30-15-4-3-8-23(28)25-11-13-26(14-12-25)24(29)20-6-5-7-21(27)17-20/h5-7,9-10,16-17,27H,3-4,8,11-15H2,1-2H3
InChIKeyDLCWKUMFGJPYRX-UHFFFAOYSA-N
XLogP3.54
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one 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

1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 55563796
2-[1-[5-(2,5-dimethylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178451
4-(2,6-dimethylphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546929
4-(4-tert-butylphenoxy)-1-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546982
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 108544019
1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
CID 110311046
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(2,5-dimethylphenoxy)pentan-1-one
CID 47721238
4-(methylamino)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 119710618
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 54783726
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078
3-(2,5-dimethylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80702990

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one (CID 52859774) is 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one is Cc1ccc(C)c(OCCCCC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
The InChIKey is DLCWKUMFGJPYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-9-10-19(2)22(16-18)30-15-4-3-8-23(28)25-11-13-26(14-12-25)24(29)20-6-5-7-21(27)17-20/h5-7,9-10,16-17,27H,3-4,8,11-15H2,1-2H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one?
5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one has a molecular weight of 410.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 52859774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).