(3S)-3-benzoylpiperazin-2-one

C11H12N2O2 — CID 29320826

IUPAC(3S)-3-benzoylpiperazin-2-one
SMILESO=C1NCCN[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c14-10(8-4-2-1-3-5-8)9-11(15)13-7-6-12-9/h1-5,9,12H,6-7H2,(H,13,15)/t9-/m0/s1
InChIKeyVVFHSOBDVCPRJK-VIFPVBQESA-N
MW204.23 g/mol
LogP-0.04
Rot. Bonds2

About (3S)-3-benzoylpiperazin-2-one

(3S)-3-benzoylpiperazin-2-one (PubChem CID 29320826) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3S)-3-benzoylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-benzoylpiperazin-2-one
PubChem CID29320826
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(3S)-3-benzoylpiperazin-2-one
SMILESO=C1NCCN[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c14-10(8-4-2-1-3-5-8)9-11(15)13-7-6-12-9/h1-5,9,12H,6-7H2,(H,13,15)/t9-/m0/s1
InChIKeyVVFHSOBDVCPRJK-VIFPVBQESA-N
XLogP-0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzoylpiperazin-2-one?
The IUPAC name of (3S)-3-benzoylpiperazin-2-one (CID 29320826) is (3S)-3-benzoylpiperazin-2-one.
What is the SMILES notation for (3S)-3-benzoylpiperazin-2-one?
The canonical SMILES for (3S)-3-benzoylpiperazin-2-one is O=C1NCCN[C@H]1C(=O)c1ccccc1.
What is the InChIKey of (3S)-3-benzoylpiperazin-2-one?
The InChIKey is VVFHSOBDVCPRJK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10(8-4-2-1-3-5-8)9-11(15)13-7-6-12-9/h1-5,9,12H,6-7H2,(H,13,15)/t9-/m0/s1.
What are the key properties of (3S)-3-benzoylpiperazin-2-one?
(3S)-3-benzoylpiperazin-2-one has a molecular weight of 204.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzoylpiperazin-2-one is sourced from PubChem (CID 29320826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).