4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one

C11H14ClN3O — CID 115469047

IUPAC4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(Cl)ccc2N)CC1=O
InChIInChI=1S/C11H14ClN3O/c1-14-4-5-15(7-11(14)16)10-6-8(12)2-3-9(10)13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyGPEWZIMUGUYQGQ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.20
Rot. Bonds1

About 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one

4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one (PubChem CID 115469047) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
PubChem CID115469047
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2cc(Cl)ccc2N)CC1=O
InChIInChI=1S/C11H14ClN3O/c1-14-4-5-15(7-11(14)16)10-6-8(12)2-3-9(10)13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyGPEWZIMUGUYQGQ-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one (CID 115469047) is 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one is CN1CCN(c2cc(Cl)ccc2N)CC1=O.
What is the InChIKey of 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one?
The InChIKey is GPEWZIMUGUYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-14-4-5-15(7-11(14)16)10-6-8(12)2-3-9(10)13/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one?
4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one has a molecular weight of 239.71 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chlorophenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 115469047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).