1,3-dimethyl-4-propanoylpiperazin-2-one

C9H16N2O2 — CID 54449584

IUPAC1,3-dimethyl-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(C)C(=O)C1C
InChIInChI=1S/C9H16N2O2/c1-4-8(12)11-6-5-10(3)9(13)7(11)2/h7H,4-6H2,1-3H3
InChIKeyWTYXVNPJBMFXFM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds1

About 1,3-dimethyl-4-propanoylpiperazin-2-one

1,3-dimethyl-4-propanoylpiperazin-2-one (PubChem CID 54449584) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,3-dimethyl-4-propanoylpiperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-propanoylpiperazin-2-one
PubChem CID54449584
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,3-dimethyl-4-propanoylpiperazin-2-one
SMILESCCC(=O)N1CCN(C)C(=O)C1C
InChIInChI=1S/C9H16N2O2/c1-4-8(12)11-6-5-10(3)9(13)7(11)2/h7H,4-6H2,1-3H3
InChIKeyWTYXVNPJBMFXFM-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dimethyl-4-propanoylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propanoylpiperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-propanoylpiperazin-2-one (CID 54449584) is 1,3-dimethyl-4-propanoylpiperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-propanoylpiperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-propanoylpiperazin-2-one is CCC(=O)N1CCN(C)C(=O)C1C.
What is the InChIKey of 1,3-dimethyl-4-propanoylpiperazin-2-one?
The InChIKey is WTYXVNPJBMFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(12)11-6-5-10(3)9(13)7(11)2/h7H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-propanoylpiperazin-2-one?
1,3-dimethyl-4-propanoylpiperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propanoylpiperazin-2-one is sourced from PubChem (CID 54449584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).