4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one

C10H19N3O3 — CID 103156005

IUPAC4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one
SMILESCOC(CN)CC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H19N3O3/c1-12-3-4-13(7-10(12)15)9(14)5-8(6-11)16-2/h8H,3-7,11H2,1-2H3
InChIKeyYYKWIEQBFYJFLC-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.35
Rot. Bonds4

About 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one

4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one (PubChem CID 103156005) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one
PubChem CID103156005
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one
SMILESCOC(CN)CC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H19N3O3/c1-12-3-4-13(7-10(12)15)9(14)5-8(6-11)16-2/h8H,3-7,11H2,1-2H3
InChIKeyYYKWIEQBFYJFLC-UHFFFAOYSA-N
XLogP-1.35
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one (CID 103156005) is 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one is COC(CN)CC(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one?
The InChIKey is YYKWIEQBFYJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-12-3-4-13(7-10(12)15)9(14)5-8(6-11)16-2/h8H,3-7,11H2,1-2H3.
What are the key properties of 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one?
4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one has a molecular weight of 229.28 g/mol, XLogP of -1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxybutanoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 103156005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).