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

C21H26N2O — CID 112803742

IUPAC3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)11-12-21(24)23-15-13-22(14-16-23)20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3
InChIKeyGAXFMHBKCISTEL-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.58
Rot. Bonds4

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

3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 112803742) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID112803742
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)11-12-21(24)23-15-13-22(14-16-23)20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3
InChIKeyGAXFMHBKCISTEL-UHFFFAOYSA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108547863
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 39571083
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 53186203
1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113079354

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (CID 112803742) is 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is Cc1ccc(CCC(=O)N2CCN(c3ccccc3C)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is GAXFMHBKCISTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-7-9-19(10-8-17)11-12-21(24)23-15-13-22(14-16-23)20-6-4-3-5-18(20)2/h3-10H,11-16H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 322.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 112803742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).