N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide

C16H19ClN4O4 — CID 97033698

IUPACN-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCl)cc1
InChIInChI=1S/C16H19ClN4O4/c1-10(22)19-11-2-4-12(5-3-11)20-14(23)8-13-16(25)18-6-7-21(13)15(24)9-17/h2-5,13H,6-9H2,1H3,(H,18,25)(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyVJXNNEGUZZVWQP-CYBMUJFWSA-N
MW366.81 g/mol
LogP0.54
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide

N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 97033698) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID97033698
Molecular FormulaC16H19ClN4O4
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC NameN-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCl)cc1
InChIInChI=1S/C16H19ClN4O4/c1-10(22)19-11-2-4-12(5-3-11)20-14(23)8-13-16(25)18-6-7-21(13)15(24)9-17/h2-5,13H,6-9H2,1H3,(H,18,25)(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyVJXNNEGUZZVWQP-CYBMUJFWSA-N
XLogP0.54
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 97033684
4-[[2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetyl]amino]benzamide
CID 97182735
N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 93488613
N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17039250
N-(4-acetamidophenyl)-2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43864608
N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233
2-[(2R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
CID 29111560
N-(4-fluorophenyl)-2-[(2R)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29044636
N-(4-chlorophenyl)-2-[(2S)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29111514
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
N-(4-ethylphenyl)-2-[1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653833

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide (CID 97033698) is N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CCl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is VJXNNEGUZZVWQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19ClN4O4/c1-10(22)19-11-2-4-12(5-3-11)20-14(23)8-13-16(25)18-6-7-21(13)15(24)9-17/h2-5,13H,6-9H2,1H3,(H,18,25)(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide?
N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 366.81 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 97033698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).