4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one

C11H19ClN2O2 — CID 63608228

IUPAC4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CCCCCl
InChIInChI=1S/C11H19ClN2O2/c1-11(2)10(16)13-7-8-14(11)9(15)5-3-4-6-12/h3-8H2,1-2H3,(H,13,16)
InChIKeyQSZFPACLUCCLNX-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.13
Rot. Bonds4

About 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one

4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63608228) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63608228
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CCCCCl
InChIInChI=1S/C11H19ClN2O2/c1-11(2)10(16)13-7-8-14(11)9(15)5-3-4-6-12/h3-8H2,1-2H3,(H,13,16)
InChIKeyQSZFPACLUCCLNX-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-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 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one (CID 63608228) is 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)CCCCCl.
What is the InChIKey of 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is QSZFPACLUCCLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-11(2)10(16)13-7-8-14(11)9(15)5-3-4-6-12/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one?
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 246.74 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).