2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide

C14H28N4O2 — CID 120502572

IUPAC2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C(C)C(C)N)CC1
InChIInChI=1S/C14H28N4O2/c1-10(2)16-13(19)9-17-5-7-18(8-6-17)14(20)11(3)12(4)15/h10-12H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyWRZIALUYTIGUIG-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.36
Rot. Bonds5

About 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 120502572) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID120502572
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C(C)C(C)N)CC1
InChIInChI=1S/C14H28N4O2/c1-10(2)16-13(19)9-17-5-7-18(8-6-17)14(20)11(3)12(4)15/h10-12H,5-9,15H2,1-4H3,(H,16,19)
InChIKeyWRZIALUYTIGUIG-UHFFFAOYSA-N
XLogP-0.36
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 120503693
3-amino-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502642
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide;dihydrochloride
CID 120503708
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833921
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833858
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;dihydrochloride
CID 120502556
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-(4-methoxypiperazin-1-yl)-N-propan-2-ylacetamide
CID 59857810
3-amino-2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502681
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 120502572) is 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)C(C)C(C)N)CC1.
What is the InChIKey of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WRZIALUYTIGUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-10(2)16-13(19)9-17-5-7-18(8-6-17)14(20)11(3)12(4)15/h10-12H,5-9,15H2,1-4H3,(H,16,19).
What are the key properties of 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 284.40 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 120502572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).