2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide

C14H16ClN3O3 — CID 162677680

IUPAC2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1
InChIKeyVFCHONURCHBPEO-GFCCVEGCSA-N
MW309.75 g/mol
LogP1.02
Rot. Bonds3

About 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide

2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 162677680) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
PubChem CID162677680
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1
InChIKeyVFCHONURCHBPEO-GFCCVEGCSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide (CID 162677680) is 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide is CC(=O)N1CCNC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is VFCHONURCHBPEO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-9(19)18-6-5-16-14(21)12(18)8-13(20)17-11-4-2-3-10(15)7-11/h2-4,7,12H,5-6,8H2,1H3,(H,16,21)(H,17,20)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 309.75 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-acetyl-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 162677680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).