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

C20H25N3O2 — CID 119952615

IUPAC3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)22-11-13-23(14-12-22)20(24)15-17(21)16-7-3-2-4-8-16/h2-10,17H,11-15,21H2,1H3
InChIKeyRETDCNRRJHDOQC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.43
Rot. Bonds5

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

3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119952615) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119952615
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)22-11-13-23(14-12-22)20(24)15-17(21)16-7-3-2-4-8-16/h2-10,17H,11-15,21H2,1H3
InChIKeyRETDCNRRJHDOQC-UHFFFAOYSA-N
XLogP2.43
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953957
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119826529
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
2-cyclopropyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110413880
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119952615) is 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one is COc1ccccc1N1CCN(C(=O)CC(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RETDCNRRJHDOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)22-11-13-23(14-12-22)20(24)15-17(21)16-7-3-2-4-8-16/h2-10,17H,11-15,21H2,1H3.
What are the key properties of 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).