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

C17H27N3O — CID 62838032

IUPAC3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCNCC(C)C(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-18-13-15(3)17(21)20-11-9-19(10-12-20)16-8-6-5-7-14(16)2/h5-8,15,18H,4,9-13H2,1-3H3
InChIKeyTTWZYHDZJUZESZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.89
Rot. Bonds5

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

3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 62838032) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID62838032
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCNCC(C)C(=O)N1CCN(c2ccccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-4-18-13-15(3)17(21)20-11-9-19(10-12-20)16-8-6-5-7-14(16)2/h5-8,15,18H,4,9-13H2,1-3H3
InChIKeyTTWZYHDZJUZESZ-UHFFFAOYSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;dihydrochloride
CID 119828404
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 42695575
3-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62728459
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
2-benzylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112832436
4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 25479399
1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (CID 62838032) is 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is CCNCC(C)C(=O)N1CCN(c2ccccc2C)CC1.
What is the InChIKey of 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is TTWZYHDZJUZESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-13-15(3)17(21)20-11-9-19(10-12-20)16-8-6-5-7-14(16)2/h5-8,15,18H,4,9-13H2,1-3H3.
What are the key properties of 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 62838032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).