3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one

C21H27N3O — CID 119837563

IUPAC3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1cccc(N2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-16-7-6-10-19(15-16)23-11-13-24(14-12-23)21(25)17(2)20(22)18-8-4-3-5-9-18/h3-10,15,17,20H,11-14,22H2,1-2H3
InChIKeyVFMVOSAQOQHWII-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one

3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119837563) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119837563
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1cccc(N2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-16-7-6-10-19(15-16)23-11-13-24(14-12-23)21(25)17(2)20(22)18-8-4-3-5-9-18/h3-10,15,17,20H,11-14,22H2,1-2H3
InChIKeyVFMVOSAQOQHWII-UHFFFAOYSA-N
XLogP2.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-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

2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119827961
N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 43034873
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-(1-phenylethyl)propanamide
CID 108962129
2-[4-(3-methylphenyl)piperazin-1-yl]-1-morpholin-4-yl-2-phenylethanone
CID 18124629
3-amino-2-methyl-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119898947

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119837563) is 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1cccc(N2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)c1.
What is the InChIKey of 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is VFMVOSAQOQHWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-7-6-10-19(15-16)23-11-13-24(14-12-23)21(25)17(2)20(22)18-8-4-3-5-9-18/h3-10,15,17,20H,11-14,22H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 337.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).