2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide

C15H32N4O — CID 63340524

IUPAC2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(C(CC)CN)CC1
InChIInChI=1S/C15H32N4O/c1-5-12(3)17-15(20)13(4)18-7-9-19(10-8-18)14(6-2)11-16/h12-14H,5-11,16H2,1-4H3,(H,17,20)
InChIKeySIANBGHCFIPUHE-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.64
Rot. Bonds7

About 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide (PubChem CID 63340524) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
PubChem CID63340524
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(C(CC)CN)CC1
InChIInChI=1S/C15H32N4O/c1-5-12(3)17-15(20)13(4)18-7-9-19(10-8-18)14(6-2)11-16/h12-14H,5-11,16H2,1-4H3,(H,17,20)
InChIKeySIANBGHCFIPUHE-UHFFFAOYSA-N
XLogP0.64
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
CID 63340654
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63309985
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63340073
1-[1-(1-aminobutan-2-yl)piperidin-4-yl]ethanol
CID 106835618
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-N-pentan-3-ylpropanamide
CID 63344025
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
CID 107160523
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide (CID 63340524) is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N1CCN(C(CC)CN)CC1.
What is the InChIKey of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide?
The InChIKey is SIANBGHCFIPUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-12(3)17-15(20)13(4)18-7-9-19(10-8-18)14(6-2)11-16/h12-14H,5-11,16H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide?
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide has a molecular weight of 284.45 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide is sourced from PubChem (CID 63340524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).