3-(3-chlorophenyl)-3-methylpiperazin-2-one

C11H13ClN2O — CID 62352450

IUPAC3-(3-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC1(c2cccc(Cl)c2)NCCNC1=O
InChIInChI=1S/C11H13ClN2O/c1-11(10(15)13-5-6-14-11)8-3-2-4-9(12)7-8/h2-4,7,14H,5-6H2,1H3,(H,13,15)
InChIKeyRWRSFGPSFIBLQD-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.27
Rot. Bonds1

About 3-(3-chlorophenyl)-3-methylpiperazin-2-one

3-(3-chlorophenyl)-3-methylpiperazin-2-one (PubChem CID 62352450) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-methylpiperazin-2-one
PubChem CID62352450
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-(3-chlorophenyl)-3-methylpiperazin-2-one
SMILESCC1(c2cccc(Cl)c2)NCCNC1=O
InChIInChI=1S/C11H13ClN2O/c1-11(10(15)13-5-6-14-11)8-3-2-4-9(12)7-8/h2-4,7,14H,5-6H2,1H3,(H,13,15)
InChIKeyRWRSFGPSFIBLQD-UHFFFAOYSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-3-methylpiperazin-2-one (CID 62352450) is 3-(3-chlorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-3-methylpiperazin-2-one is CC1(c2cccc(Cl)c2)NCCNC1=O.
What is the InChIKey of 3-(3-chlorophenyl)-3-methylpiperazin-2-one?
The InChIKey is RWRSFGPSFIBLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-11(10(15)13-5-6-14-11)8-3-2-4-9(12)7-8/h2-4,7,14H,5-6H2,1H3,(H,13,15).
What are the key properties of 3-(3-chlorophenyl)-3-methylpiperazin-2-one?
3-(3-chlorophenyl)-3-methylpiperazin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 62352450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).