3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

C16H25N3O — CID 62834057

IUPAC3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCNCCC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-17-9-8-16(20)19-12-10-18(11-13-19)15-7-5-4-6-14(15)2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyOKFNGNUZWPTMOT-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.64
Rot. Bonds5

About 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one

3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 62834057) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID62834057
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCNCCC(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C16H25N3O/c1-3-17-9-8-16(20)19-12-10-18(11-13-19)15-7-5-4-6-14(15)2/h4-7,17H,3,8-13H2,1-2H3
InChIKeyOKFNGNUZWPTMOT-UHFFFAOYSA-N
XLogP1.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.64
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-phenylpiperazin-1-yl)propan-1-one
CID 62831183
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)methylamino]propan-1-one
CID 109019284
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62838032
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012790
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 115593324
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (CID 62834057) is 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is CCNCCC(=O)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is OKFNGNUZWPTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-17-9-8-16(20)19-12-10-18(11-13-19)15-7-5-4-6-14(15)2/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.64, 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-(2-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 62834057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).