N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

C14H19N3O2 — CID 2954228

IUPACN-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-10(2)7-11(6-9)17-13(18)8-12-14(19)16-4-3-15-12/h5-7,12,15H,3-4,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAHRNUTIYXJYOHQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.72
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide

N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide (PubChem CID 2954228) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
PubChem CID2954228
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2NCCNC2=O)c1
InChIInChI=1S/C14H19N3O2/c1-9-5-10(2)7-11(6-9)17-13(18)8-12-14(19)16-4-3-15-12/h5-7,12,15H,3-4,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyAHRNUTIYXJYOHQ-UHFFFAOYSA-N
XLogP0.72
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide (CID 2954228) is N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide is Cc1cc(C)cc(NC(=O)CC2NCCNC2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
The InChIKey is AHRNUTIYXJYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-5-10(2)7-11(6-9)17-13(18)8-12-14(19)16-4-3-15-12/h5-7,12,15H,3-4,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 2954228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).