(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one

C12H16N2O3 — CID 97015434

IUPAC(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
SMILESCOc1ccc([C@@H]2CNC(=O)CN2)cc1OC
InChIInChI=1S/C12H16N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-14-12(15)7-13-9/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyVXPDFAHCRLLVJX-VIFPVBQESA-N
MW236.27 g/mol
LogP0.46
Rot. Bonds3

About (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one

(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one (PubChem CID 97015434) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
PubChem CID97015434
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
SMILESCOc1ccc([C@@H]2CNC(=O)CN2)cc1OC
InChIInChI=1S/C12H16N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-14-12(15)7-13-9/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyVXPDFAHCRLLVJX-VIFPVBQESA-N
XLogP0.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one?
The IUPAC name of (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one (CID 97015434) is (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one?
The canonical SMILES for (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one is COc1ccc([C@@H]2CNC(=O)CN2)cc1OC.
What is the InChIKey of (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one?
The InChIKey is VXPDFAHCRLLVJX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-10-4-3-8(5-11(10)17-2)9-6-14-12(15)7-13-9/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one?
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one is sourced from PubChem (CID 97015434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).