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

C17H27N3O — CID 79813373

IUPAC2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-17(18,5-2)16(21)20-11-9-19(10-12-20)15-8-6-7-14(3)13-15/h6-8,13H,4-5,9-12,18H2,1-3H3
InChIKeyZYFHZKLMZPRNTF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds4

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

2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one (PubChem CID 79813373) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
PubChem CID79813373
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O/c1-4-17(18,5-2)16(21)20-11-9-19(10-12-20)15-8-6-7-14(3)13-15/h6-8,13H,4-5,9-12,18H2,1-3H3
InChIKeyZYFHZKLMZPRNTF-UHFFFAOYSA-N
XLogP2.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N-propylpropanamide
CID 108957034
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108961842
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-(4-chlorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 113197535

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one (CID 79813373) is 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one is CCC(N)(CC)C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is ZYFHZKLMZPRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-17(18,5-2)16(21)20-11-9-19(10-12-20)15-8-6-7-14(3)13-15/h6-8,13H,4-5,9-12,18H2,1-3H3.
What are the key properties of 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one?
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 79813373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).