1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

C23H27FN2O3 — CID 110366922

IUPAC1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(CC(=O)c3cc(C)ccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-17-3-9-21(24)20(15-17)22(27)16-25-11-13-26(14-12-25)23(28)10-6-18-4-7-19(29-2)8-5-18/h3-5,7-9,15H,6,10-14,16H2,1-2H3
InChIKeyQGUOSFAGSPALQS-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.10
Rot. Bonds7

About 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 110366922) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID110366922
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(CC(=O)c3cc(C)ccc3F)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-17-3-9-21(24)20(15-17)22(27)16-25-11-13-26(14-12-25)23(28)10-6-18-4-7-19(29-2)8-5-18/h3-5,7-9,15H,6,10-14,16H2,1-2H3
InChIKeyQGUOSFAGSPALQS-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-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-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
3-(4-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 25236883
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110366695
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 31559483
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709767
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(2-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611237
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-N-pentan-3-ylacetamide
CID 47081322
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110659542

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 110366922) is 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCN(CC(=O)c3cc(C)ccc3F)CC2)cc1.
What is the InChIKey of 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is QGUOSFAGSPALQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-17-3-9-21(24)20(15-17)22(27)16-25-11-13-26(14-12-25)23(28)10-6-18-4-7-19(29-2)8-5-18/h3-5,7-9,15H,6,10-14,16H2,1-2H3.
What are the key properties of 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 398.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110366922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).