3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one

C19H28N2O2 — CID 110817715

IUPAC3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
SMILESCc1cccc(CCC(=O)N2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-15(2)13-19(23)21-11-9-20(10-12-21)18(22)8-7-17-6-4-5-16(3)14-17/h4-6,14-15H,7-13H2,1-3H3
InChIKeyRHQWEIMBHWFAOM-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.64
Rot. Bonds5

About 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one

3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one (PubChem CID 110817715) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
PubChem CID110817715
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
SMILESCc1cccc(CCC(=O)N2CCN(C(=O)CC(C)C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-15(2)13-19(23)21-11-9-20(10-12-21)18(22)8-7-17-6-4-5-16(3)14-17/h4-6,14-15H,7-13H2,1-3H3
InChIKeyRHQWEIMBHWFAOM-UHFFFAOYSA-N
XLogP2.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-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-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810943
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666027
3-(3-methylphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798897
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110797482
N-cyclopentyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one (CID 110817715) is 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one is Cc1cccc(CCC(=O)N2CCN(C(=O)CC(C)C)CC2)c1.
What is the InChIKey of 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one?
The InChIKey is RHQWEIMBHWFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)13-19(23)21-11-9-20(10-12-21)18(22)8-7-17-6-4-5-16(3)14-17/h4-6,14-15H,7-13H2,1-3H3.
What are the key properties of 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one?
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one has a molecular weight of 316.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110817715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).