4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

C16H21ClN2O3 — CID 70718977

IUPAC4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)C(C)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-10(2)9-18-6-7-19(11(3)15(18)21)16(22)13-8-12(17)4-5-14(13)20/h4-5,8,10-11,20H,6-7,9H2,1-3H3
InChIKeyDWXJKILUSOGPAA-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.37
Rot. Bonds3

About 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 70718977) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID70718977
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)C(C)C1=O
InChIInChI=1S/C16H21ClN2O3/c1-10(2)9-18-6-7-19(11(3)15(18)21)16(22)13-8-12(17)4-5-14(13)20/h4-5,8,10-11,20H,6-7,9H2,1-3H3
InChIKeyDWXJKILUSOGPAA-UHFFFAOYSA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-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-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 70718977) is 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C(=O)c2cc(Cl)ccc2O)C(C)C1=O.
What is the InChIKey of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is DWXJKILUSOGPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10(2)9-18-6-7-19(11(3)15(18)21)16(22)13-8-12(17)4-5-14(13)20/h4-5,8,10-11,20H,6-7,9H2,1-3H3.
What are the key properties of 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 324.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxybenzoyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 70718977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).