N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

C12H13Cl2N3O2 — CID 2111680

IUPACN-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-1-2-10(9(14)5-8)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19)
InChIKeyFWWVZOLWDLYECA-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.36
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 2111680) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID2111680
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC NameN-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-1-2-10(9(14)5-8)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19)
InChIKeyFWWVZOLWDLYECA-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (CID 2111680) is N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)Nc2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is FWWVZOLWDLYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-8-1-2-10(9(14)5-8)16-12(19)7-17-4-3-15-11(18)6-17/h1-2,5H,3-4,6-7H2,(H,15,18)(H,16,19).
What are the key properties of N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 302.16 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 2111680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).