3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide

C10H20N4O2 — CID 103827811

IUPAC3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
SMILESCC1CN(C)CCN1C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H20N4O2/c1-7-6-13(2)3-4-14(7)10(16)8(11)5-9(12)15/h7-8H,3-6,11H2,1-2H3,(H2,12,15)
InChIKeyLGPYZEGYTYMEET-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.65
Rot. Bonds3

About 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide

3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide (PubChem CID 103827811) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
PubChem CID103827811
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide
SMILESCC1CN(C)CCN1C(=O)C(N)CC(N)=O
InChIInChI=1S/C10H20N4O2/c1-7-6-13(2)3-4-14(7)10(16)8(11)5-9(12)15/h7-8H,3-6,11H2,1-2H3,(H2,12,15)
InChIKeyLGPYZEGYTYMEET-UHFFFAOYSA-N
XLogP-1.65
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)pentan-1-one
CID 103814592
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
(2S,3S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 103833366
(2R)-2-amino-1-(2,4-dimethyl-1,4-diazepan-1-yl)-4-methylsulfanylbutan-1-one
CID 114085704
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
CID 124725714
3-amino-4-(3,4-dimethylpyrrolidin-1-yl)-4-oxobutanamide;hydrochloride
CID 119957492
(2S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one;dihydrochloride
CID 119958095
1-(2,4-diamino-4-oxobutanoyl)azetidine-3-carboxylic acid
CID 79309421
3-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-oxobutanoic acid
CID 102883221

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide?
The IUPAC name of 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide (CID 103827811) is 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide?
The canonical SMILES for 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide is CC1CN(C)CCN1C(=O)C(N)CC(N)=O.
What is the InChIKey of 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide?
The InChIKey is LGPYZEGYTYMEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7-6-13(2)3-4-14(7)10(16)8(11)5-9(12)15/h7-8H,3-6,11H2,1-2H3,(H2,12,15).
What are the key properties of 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide?
3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide has a molecular weight of 228.30 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,4-dimethylpiperazin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 103827811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).