N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

C12H13Cl2N3O2 — CID 2113839

IUPACN-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-3-9(14)5-10(4-8)16-12(19)7-17-2-1-15-11(18)6-17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,19)
InChIKeyKFWQFBMRDFWLEM-UHFFFAOYSA-N
MW302.16 g/mol
LogP1.36
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide

N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 2113839) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID2113839
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC NameN-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-3-9(14)5-10(4-8)16-12(19)7-17-2-1-15-11(18)6-17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,19)
InChIKeyKFWQFBMRDFWLEM-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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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 29276726
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-(2-chloro-4-fluorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962997
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 26623969
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 16778689
N-(3-chloro-5-fluorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107365899
2-(3-oxopiperazin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 2656976
N-(3,5-dichlorophenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 126213434
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962484
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide (CID 2113839) is N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCN1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is KFWQFBMRDFWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-8-3-9(14)5-10(4-8)16-12(19)7-17-2-1-15-11(18)6-17/h3-5H,1-2,6-7H2,(H,15,18)(H,16,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide?
N-(3,5-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-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 2113839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).