2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide

C16H21ClN4O4 — CID 8542443

IUPAC2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide
SMILESCC(=O)N1CCN(CC(=O)NNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN4O4/c1-12(22)21-8-6-20(7-9-21)10-15(23)18-19-16(24)11-25-14-4-2-13(17)3-5-14/h2-5H,6-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyWPYUXNKBKTXMIE-UHFFFAOYSA-N
MW368.82 g/mol
LogP0.03
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide

2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide (PubChem CID 8542443) has the molecular formula C16H21ClN4O4 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide
PubChem CID8542443
Molecular FormulaC16H21ClN4O4
Molecular Weight368.82 g/mol
Exact Mass368.13
IUPAC Name2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide
SMILESCC(=O)N1CCN(CC(=O)NNC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN4O4/c1-12(22)21-8-6-20(7-9-21)10-15(23)18-19-16(24)11-25-14-4-2-13(17)3-5-14/h2-5H,6-11H2,1H3,(H,18,23)(H,19,24)
InChIKeyWPYUXNKBKTXMIE-UHFFFAOYSA-N
XLogP0.03
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
CID 8549897
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759598
N'-[2-(4-chlorophenoxy)acetyl]-2-(2-methylphenyl)acetohydrazide
CID 26163587
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide (CID 8542443) is 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide is CC(=O)N1CCN(CC(=O)NNC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide?
The InChIKey is WPYUXNKBKTXMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O4/c1-12(22)21-8-6-20(7-9-21)10-15(23)18-19-16(24)11-25-14-4-2-13(17)3-5-14/h2-5H,6-11H2,1H3,(H,18,23)(H,19,24).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide?
2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide has a molecular weight of 368.82 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 8542443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).