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

C23H28N2O2 — CID 110366529

IUPAC1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc(C(=O)CN2CCN(C(=O)CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C23H28N2O2/c1-18-8-10-21(16-19(18)2)22(26)17-24-12-14-25(15-13-24)23(27)11-9-20-6-4-3-5-7-20/h3-8,10,16H,9,11-15,17H2,1-2H3
InChIKeyMPAHUQKXKXOLAY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.26
Rot. Bonds6

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

1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110366529) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110366529
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc(C(=O)CN2CCN(C(=O)CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C23H28N2O2/c1-18-8-10-21(16-19(18)2)22(26)17-24-12-14-25(15-13-24)23(27)11-9-20-6-4-3-5-7-20/h3-8,10,16H,9,11-15,17H2,1-2H3
InChIKeyMPAHUQKXKXOLAY-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
1-[4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110368853
phenyl 4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366545
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110356972
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-(3,4-dimethylphenyl)-4-piperidin-1-ylbutane-1,4-dione
CID 94282653
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110366695

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one (CID 110366529) is 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one is Cc1ccc(C(=O)CN2CCN(C(=O)CCc3ccccc3)CC2)cc1C.
What is the InChIKey of 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is MPAHUQKXKXOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-8-10-21(16-19(18)2)22(26)17-24-12-14-25(15-13-24)23(27)11-9-20-6-4-3-5-7-20/h3-8,10,16H,9,11-15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 364.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110366529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).