1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one

C24H30N2O2 — CID 110408745

IUPAC1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(Cc2cccc(C)c2)Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N2O2/c1-18-6-4-8-21(14-18)16-23(17-22-9-5-7-19(2)15-22)24(28)26-12-10-25(11-13-26)20(3)27/h4-9,14-15,23H,10-13,16-17H2,1-3H3
InChIKeyAXBNZEPNYSFOTR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one (PubChem CID 110408745) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one
PubChem CID110408745
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(Cc2cccc(C)c2)Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N2O2/c1-18-6-4-8-21(14-18)16-23(17-22-9-5-7-19(2)15-22)24(28)26-12-10-25(11-13-26)20(3)27/h4-9,14-15,23H,10-13,16-17H2,1-3H3
InChIKeyAXBNZEPNYSFOTR-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897
3-[(3-methylphenyl)methyl]-4-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butanoic acid
CID 6734987
2-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanenitrile
CID 82120552
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-3-(3-chlorophenyl)propan-1-one;hydrochloride
CID 168922748
2-(aminomethyl)-3-(3-methylphenyl)propanamide
CID 43148279
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
(2R)-2-methyl-3-(3-methylphenyl)-1-(4-piperidin-4-ylpiperidin-1-yl)propan-1-one
CID 123472144
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 34840464
disodium;2-[(3-methylphenyl)methyl]butanedioate
CID 168862255
2-[(3-methylphenyl)methyl]pentanedioic acid
CID 112511845

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one (CID 110408745) is 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one is CC(=O)N1CCN(C(=O)C(Cc2cccc(C)c2)Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one?
The InChIKey is AXBNZEPNYSFOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-6-4-8-21(14-18)16-23(17-22-9-5-7-19(2)15-22)24(28)26-12-10-25(11-13-26)20(3)27/h4-9,14-15,23H,10-13,16-17H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one has a molecular weight of 378.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(3-methylphenyl)-2-[(3-methylphenyl)methyl]propan-1-one is sourced from PubChem (CID 110408745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).