2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide

C14H16ClN3O3 — CID 97033684

IUPAC2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1
InChIInChI=1S/C14H16ClN3O3/c15-9-13(20)18-7-6-16-14(21)11(18)8-12(19)17-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,21)(H,17,19)/t11-/m1/s1
InChIKeyFHJAOUSLJPCTIJ-LLVKDONJSA-N
MW309.75 g/mol
LogP0.58
Rot. Bonds4

About 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide

2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (PubChem CID 97033684) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
PubChem CID97033684
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1
InChIInChI=1S/C14H16ClN3O3/c15-9-13(20)18-7-6-16-14(21)11(18)8-12(19)17-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,21)(H,17,19)/t11-/m1/s1
InChIKeyFHJAOUSLJPCTIJ-LLVKDONJSA-N
XLogP0.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 97033698
N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630
4-[[2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetyl]amino]benzamide
CID 97182735
2-[(2R)-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 51625364
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
ethyl 1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 41130879
N-(4-chlorophenyl)-2-[(2S)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29111514
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628875
2-[(2S)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628872

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide (CID 97033684) is 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is O=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1.
What is the InChIKey of 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
The InChIKey is FHJAOUSLJPCTIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-9-13(20)18-7-6-16-14(21)11(18)8-12(19)17-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,21)(H,17,19)/t11-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide?
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide has a molecular weight of 309.75 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 97033684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).