3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

C21H26N2O — CID 110416826

IUPAC3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O/c1-17-8-10-18(11-9-17)12-13-21(24)23-15-14-22(2)20(16-23)19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3
InChIKeyVFHGOCLCTFAWSW-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.44
Rot. Bonds4

About 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one

3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (PubChem CID 110416826) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
PubChem CID110416826
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(CCC(=O)N2CCN(C)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O/c1-17-8-10-18(11-9-17)12-13-21(24)23-15-14-22(2)20(16-23)19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3
InChIKeyVFHGOCLCTFAWSW-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)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-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310547
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(benzenesulfonyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416820
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
1-(3,4-dihydroxypyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 106670987
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one (CID 110416826) is 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one is Cc1ccc(CCC(=O)N2CCN(C)C(c3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is VFHGOCLCTFAWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-8-10-18(11-9-17)12-13-21(24)23-15-14-22(2)20(16-23)19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one?
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 322.45 g/mol, XLogP of 3.44, 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-methyl-3-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110416826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).