N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide

C13H15Cl2N3O2 — CID 2112872

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCNC(=O)C2)c1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-8-2-3-9(14)13(12(8)15)17-11(20)7-18-5-4-16-10(19)6-18/h2-3H,4-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyACAWPCWQBCSFLY-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.67
Rot. Bonds3

About N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide

N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 2112872) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID2112872
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCNC(=O)C2)c1Cl
InChIInChI=1S/C13H15Cl2N3O2/c1-8-2-3-9(14)13(12(8)15)17-11(20)7-18-5-4-16-10(19)6-18/h2-3H,4-7H2,1H3,(H,16,19)(H,17,20)
InChIKeyACAWPCWQBCSFLY-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide (CID 2112872) is N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCNC(=O)C2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is ACAWPCWQBCSFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-8-2-3-9(14)13(12(8)15)17-11(20)7-18-5-4-16-10(19)6-18/h2-3H,4-7H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 316.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 2112872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).