2-(3-oxopiperazin-2-yl)-N-phenylacetamide

C12H15N3O2 — CID 2955672

IUPAC2-(3-oxopiperazin-2-yl)-N-phenylacetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccccc1
InChIInChI=1S/C12H15N3O2/c16-11(15-9-4-2-1-3-5-9)8-10-12(17)14-7-6-13-10/h1-5,10,13H,6-8H2,(H,14,17)(H,15,16)
InChIKeyYDVYIIPPSVSXQH-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.10
Rot. Bonds3

About 2-(3-oxopiperazin-2-yl)-N-phenylacetamide

2-(3-oxopiperazin-2-yl)-N-phenylacetamide (PubChem CID 2955672) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3-oxopiperazin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-2-yl)-N-phenylacetamide
PubChem CID2955672
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(3-oxopiperazin-2-yl)-N-phenylacetamide
SMILESO=C(CC1NCCNC1=O)Nc1ccccc1
InChIInChI=1S/C12H15N3O2/c16-11(15-9-4-2-1-3-5-9)8-10-12(17)14-7-6-13-10/h1-5,10,13H,6-8H2,(H,14,17)(H,15,16)
InChIKeyYDVYIIPPSVSXQH-UHFFFAOYSA-N
XLogP0.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxopiperazin-2-yl)-N-phenylacetamide (CID 2955672) is 2-(3-oxopiperazin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxopiperazin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxopiperazin-2-yl)-N-phenylacetamide is O=C(CC1NCCNC1=O)Nc1ccccc1.
What is the InChIKey of 2-(3-oxopiperazin-2-yl)-N-phenylacetamide?
The InChIKey is YDVYIIPPSVSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11(15-9-4-2-1-3-5-9)8-10-12(17)14-7-6-13-10/h1-5,10,13H,6-8H2,(H,14,17)(H,15,16).
What are the key properties of 2-(3-oxopiperazin-2-yl)-N-phenylacetamide?
2-(3-oxopiperazin-2-yl)-N-phenylacetamide has a molecular weight of 233.27 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 2955672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).