1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one

C10H19N3O2 — CID 60893476

IUPAC1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
SMILESCCC(N)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H19N3O2/c1-3-9(11)10(15)13-6-4-12(5-7-13)8(2)14/h9H,3-7,11H2,1-2H3
InChIKeyOVVYZQOOCZOUBC-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.59
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one

1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one (PubChem CID 60893476) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
PubChem CID60893476
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
SMILESCCC(N)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C10H19N3O2/c1-3-9(11)10(15)13-6-4-12(5-7-13)8(2)14/h9H,3-7,11H2,1-2H3
InChIKeyOVVYZQOOCZOUBC-UHFFFAOYSA-N
XLogP-0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one (CID 60893476) is 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one is CCC(N)C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one?
The InChIKey is OVVYZQOOCZOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-9(11)10(15)13-6-4-12(5-7-13)8(2)14/h9H,3-7,11H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one?
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one has a molecular weight of 213.28 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one is sourced from PubChem (CID 60893476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).