N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide

C20H23N3O2 — CID 8963237

IUPACN,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CCN1
InChIInChI=1S/C20H23N3O2/c24-19-15-22(12-11-21-19)16-20(25)23(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24)
InChIKeyTWROMWRBSGBLJF-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.65
Rot. Bonds6

About N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide

N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8963237) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8963237
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CCN1
InChIInChI=1S/C20H23N3O2/c24-19-15-22(12-11-21-19)16-20(25)23(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24)
InChIKeyTWROMWRBSGBLJF-UHFFFAOYSA-N
XLogP1.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide (CID 8963237) is N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)N(Cc2ccccc2)Cc2ccccc2)CCN1.
What is the InChIKey of N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is TWROMWRBSGBLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-15-22(12-11-21-19)16-20(25)23(13-17-7-3-1-4-8-17)14-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,21,24).
What are the key properties of N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide?
N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8963237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).