(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one

C11H23N3O — CID 79023529

IUPAC(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
SMILESCCC1CN(C(=O)[C@H](N)CC)CCN1C
InChIInChI=1S/C11H23N3O/c1-4-9-8-14(7-6-13(9)3)11(15)10(12)5-2/h9-10H,4-8,12H2,1-3H3/t9?,10-/m1/s1
InChIKeyBLSKYFMXYJJXGB-QVDQXJPCSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds3

About (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one

(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one (PubChem CID 79023529) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
PubChem CID79023529
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
SMILESCCC1CN(C(=O)[C@H](N)CC)CCN1C
InChIInChI=1S/C11H23N3O/c1-4-9-8-14(7-6-13(9)3)11(15)10(12)5-2/h9-10H,4-8,12H2,1-3H3/t9?,10-/m1/s1
InChIKeyBLSKYFMXYJJXGB-QVDQXJPCSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
(2S)-2-amino-1-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119880381
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114898444
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
ethyl 2-(3-ethyl-4-methylpiperazin-1-yl)-2-oxoacetate
CID 63615548
(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 104937377
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
3-amino-1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 63610949
2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butan-1-one
CID 107220584
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-one
CID 81199957
(2R)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-aminobutan-1-one
CID 81104086

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one (CID 79023529) is (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one is CCC1CN(C(=O)[C@H](N)CC)CCN1C.
What is the InChIKey of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one?
The InChIKey is BLSKYFMXYJJXGB-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-9-8-14(7-6-13(9)3)11(15)10(12)5-2/h9-10H,4-8,12H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one?
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 79023529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).