2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one

C12H23N3O3 — CID 54872163

IUPAC2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCOCC(=O)N1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(2)11(13)12(17)15-6-4-14(5-7-15)10(16)8-18-3/h9,11H,4-8,13H2,1-3H3
InChIKeyZNNMWVUYUVWSMK-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.71
Rot. Bonds4

About 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one

2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 54872163) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID54872163
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCOCC(=O)N1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C12H23N3O3/c1-9(2)11(13)12(17)15-6-4-14(5-7-15)10(16)8-18-3/h9,11H,4-8,13H2,1-3H3
InChIKeyZNNMWVUYUVWSMK-UHFFFAOYSA-N
XLogP-0.71
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 54872708
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxylic acid
CID 141387551
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-sulfonamide
CID 61157442
(2S)-2-amino-3-methyl-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119833980
2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 60962672
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
CID 65227640
4-(2-methoxyacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60757389
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2S)-2-amino-3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119831584
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one (CID 54872163) is 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one is COCC(=O)N1CCN(C(=O)C(N)C(C)C)CC1.
What is the InChIKey of 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is ZNNMWVUYUVWSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)11(13)12(17)15-6-4-14(5-7-15)10(16)8-18-3/h9,11H,4-8,13H2,1-3H3.
What are the key properties of 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one?
2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 257.33 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 54872163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).