4-(2-amino-4-methylpentanoyl)piperazin-2-one

C10H19N3O2 — CID 24692587

IUPAC4-(2-amino-4-methylpentanoyl)piperazin-2-one
SMILESCC(C)CC(N)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H19N3O2/c1-7(2)5-8(11)10(15)13-4-3-12-9(14)6-13/h7-8H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyOINWLWCGKYNSAZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.68
Rot. Bonds3

About 4-(2-amino-4-methylpentanoyl)piperazin-2-one

4-(2-amino-4-methylpentanoyl)piperazin-2-one (PubChem CID 24692587) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-amino-4-methylpentanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-4-methylpentanoyl)piperazin-2-one
PubChem CID24692587
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-(2-amino-4-methylpentanoyl)piperazin-2-one
SMILESCC(C)CC(N)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H19N3O2/c1-7(2)5-8(11)10(15)13-4-3-12-9(14)6-13/h7-8H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyOINWLWCGKYNSAZ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylpentanoyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-4-methylpentanoyl)piperazin-2-one (CID 24692587) is 4-(2-amino-4-methylpentanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-4-methylpentanoyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-4-methylpentanoyl)piperazin-2-one is CC(C)CC(N)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-amino-4-methylpentanoyl)piperazin-2-one?
The InChIKey is OINWLWCGKYNSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)5-8(11)10(15)13-4-3-12-9(14)6-13/h7-8H,3-6,11H2,1-2H3,(H,12,14).
What are the key properties of 4-(2-amino-4-methylpentanoyl)piperazin-2-one?
4-(2-amino-4-methylpentanoyl)piperazin-2-one has a molecular weight of 213.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylpentanoyl)piperazin-2-one is sourced from PubChem (CID 24692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).