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

C13H28N4O — CID 63340654

IUPAC2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCN(C(CC)CN)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(10-14)17-8-6-16(7-9-17)11(3)13(18)15-5-2/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyMHDIWHHAJQEIOZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds6

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

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide (PubChem CID 63340654) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
PubChem CID63340654
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1CCN(C(CC)CN)CC1
InChIInChI=1S/C13H28N4O/c1-4-12(10-14)17-8-6-16(7-9-17)11(3)13(18)15-5-2/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyMHDIWHHAJQEIOZ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63340242
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 63341069
1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385831
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63340073
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 114802683
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
CID 63340262
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide?
The IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide (CID 63340654) is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide is CCNC(=O)C(C)N1CCN(C(CC)CN)CC1.
What is the InChIKey of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide?
The InChIKey is MHDIWHHAJQEIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-12(10-14)17-8-6-16(7-9-17)11(3)13(18)15-5-2/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide?
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 6 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-ethylpropanamide is sourced from PubChem (CID 63340654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).