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

C20H25N3O — CID 119952731

IUPAC3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccccc1N1CCN(C(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-7-5-6-10-19(16)22-11-13-23(14-12-22)20(24)15-18(21)17-8-3-2-4-9-17/h2-10,18H,11-15,21H2,1H3
InChIKeyZBVMDDMZRBAQJV-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.73
Rot. Bonds4

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

3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119952731) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119952731
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccccc1N1CCN(C(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c1-16-7-5-6-10-19(16)22-11-13-23(14-12-22)20(24)15-18(21)17-8-3-2-4-9-17/h2-10,18H,11-15,21H2,1H3
InChIKeyZBVMDDMZRBAQJV-UHFFFAOYSA-N
XLogP2.73
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-(aminomethyl)-1-[4-(2-methylphenyl)piperazin-1-yl]pentan-1-one
CID 81084358
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 42695575
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953957
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
3-amino-1-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949487
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119952731) is 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1ccccc1N1CCN(C(=O)CC(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is ZBVMDDMZRBAQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-7-5-6-10-19(16)22-11-13-23(14-12-22)20(24)15-18(21)17-8-3-2-4-9-17/h2-10,18H,11-15,21H2,1H3.
What are the key properties of 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119952731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).