2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide

C19H21N3O2 — CID 2806925

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide
SMILESO=C(CC1NCCN(Cc2ccccc2)C1=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(21-16-9-5-2-6-10-16)13-17-19(24)22(12-11-20-17)14-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2,(H,21,23)
InChIKeyBXTWVTOWZQTKNQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.02
Rot. Bonds5

About 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide

2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide (PubChem CID 2806925) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide
PubChem CID2806925
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide
SMILESO=C(CC1NCCN(Cc2ccccc2)C1=O)Nc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(21-16-9-5-2-6-10-16)13-17-19(24)22(12-11-20-17)14-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2,(H,21,23)
InChIKeyBXTWVTOWZQTKNQ-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide (CID 2806925) is 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide is O=C(CC1NCCN(Cc2ccccc2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide?
The InChIKey is BXTWVTOWZQTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-16-9-5-2-6-10-16)13-17-19(24)22(12-11-20-17)14-15-7-3-1-4-8-15/h1-10,17,20H,11-14H2,(H,21,23).
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide?
2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxopiperazin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 2806925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).