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

C14H17Cl2N3O2 — CID 2539450

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(12(16)7-11)3-4-17-13(20)8-19-6-5-18-14(21)9-19/h1-2,7H,3-6,8-9H2,(H,17,20)(H,18,21)
InChIKeyFIADGXSPOIRXNA-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.08
Rot. Bonds5

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

N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 2539450) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID2539450
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C(CN1CCNC(=O)C1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(12(16)7-11)3-4-17-13(20)8-19-6-5-18-14(21)9-19/h1-2,7H,3-6,8-9H2,(H,17,20)(H,18,21)
InChIKeyFIADGXSPOIRXNA-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 2539450) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C(CN1CCNC(=O)C1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is FIADGXSPOIRXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-11-2-1-10(12(16)7-11)3-4-17-13(20)8-19-6-5-18-14(21)9-19/h1-2,7H,3-6,8-9H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 330.22 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 2539450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).