1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one

C24H30N2O3 — CID 110366695

IUPAC1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(CC(=O)c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-18-7-9-22(19(2)15-18)23(27)17-25-11-13-26(14-12-25)24(28)10-8-20-5-4-6-21(16-20)29-3/h4-7,9,15-16H,8,10-14,17H2,1-3H3
InChIKeyPWRCULSHIFJYTR-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one

1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one (PubChem CID 110366695) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
PubChem CID110366695
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(CC(=O)c3ccc(C)cc3C)CC2)c1
InChIInChI=1S/C24H30N2O3/c1-18-7-9-22(19(2)15-18)23(27)17-25-11-13-26(14-12-25)24(28)10-8-20-5-4-6-21(16-20)29-3/h4-7,9,15-16H,8,10-14,17H2,1-3H3
InChIKeyPWRCULSHIFJYTR-UHFFFAOYSA-N
XLogP3.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110366673
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-[4-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110659542
3-(3-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 110409956
1-[4-[2-(2-fluoro-5-methylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110366922
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3-methoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709205
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 110412228

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one (CID 110366695) is 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCN(CC(=O)c3ccc(C)cc3C)CC2)c1.
What is the InChIKey of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is PWRCULSHIFJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-7-9-22(19(2)15-18)23(27)17-25-11-13-26(14-12-25)24(28)10-8-20-5-4-6-21(16-20)29-3/h4-7,9,15-16H,8,10-14,17H2,1-3H3.
What are the key properties of 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 394.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 110366695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).