1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one

C14H17ClN2O — CID 24716093

IUPAC1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN(c2ccccc2Cl)C(=O)C1C
InChIInChI=1S/C14H17ClN2O/c1-3-8-16-9-10-17(14(18)11(16)2)13-7-5-4-6-12(13)15/h3-7,11H,1,8-10H2,2H3
InChIKeyGPQAEPNRDIKEHL-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one

1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one (PubChem CID 24716093) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
PubChem CID24716093
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN(c2ccccc2Cl)C(=O)C1C
InChIInChI=1S/C14H17ClN2O/c1-3-8-16-9-10-17(14(18)11(16)2)13-7-5-4-6-12(13)15/h3-7,11H,1,8-10H2,2H3
InChIKeyGPQAEPNRDIKEHL-UHFFFAOYSA-N
XLogP2.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one (CID 24716093) is 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one is C=CCN1CCN(c2ccccc2Cl)C(=O)C1C.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
The InChIKey is GPQAEPNRDIKEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-8-16-9-10-17(14(18)11(16)2)13-7-5-4-6-12(13)15/h3-7,11H,1,8-10H2,2H3.
What are the key properties of 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one has a molecular weight of 264.76 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 24716093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).