3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one

C15H23N3O — CID 62831183

IUPAC3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCCNCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-16-9-8-15(19)18-12-10-17(11-13-18)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
InChIKeyUIHVGLXBGNCHQE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.33
Rot. Bonds5

About 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 62831183) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID62831183
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCCNCCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-2-16-9-8-15(19)18-12-10-17(11-13-18)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3
InChIKeyUIHVGLXBGNCHQE-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-benzyl-1-ethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110953399
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylamino)propan-1-one
CID 109024278
2-[[ethylamino-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111365357

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 62831183) is 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one is CCNCCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UIHVGLXBGNCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-16-9-8-15(19)18-12-10-17(11-13-18)14-6-4-3-5-7-14/h3-7,16H,2,8-13H2,1H3.
What are the key properties of 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 62831183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).