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

C9H17N3O3 — CID 81102582

IUPAC4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one
SMILESCOCC(N)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H17N3O3/c1-11-3-4-12(5-8(11)13)9(14)7(10)6-15-2/h7H,3-6,10H2,1-2H3
InChIKeyQWDIGEKEICBQGJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.74
Rot. Bonds3

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

4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one (PubChem CID 81102582) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one
PubChem CID81102582
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one
SMILESCOCC(N)C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H17N3O3/c1-11-3-4-12(5-8(11)13)9(14)7(10)6-15-2/h7H,3-6,10H2,1-2H3
InChIKeyQWDIGEKEICBQGJ-UHFFFAOYSA-N
XLogP-1.74
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one (CID 81102582) is 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one is COCC(N)C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one?
The InChIKey is QWDIGEKEICBQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-11-3-4-12(5-8(11)13)9(14)7(10)6-15-2/h7H,3-6,10H2,1-2H3.
What are the key properties of 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one?
4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one has a molecular weight of 215.25 g/mol, XLogP of -1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methoxypropanoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 81102582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).