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

C18H23ClN4O5 — CID 9321254

IUPAC4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O5/c1-13(24)22-8-10-23(11-9-22)18(27)7-6-16(25)20-21-17(26)12-28-15-5-3-2-4-14(15)19/h2-5H,6-12H2,1H3,(H,20,25)(H,21,26)
InChIKeySPPFKSKSKOFOBZ-UHFFFAOYSA-N
MW410.86 g/mol
LogP0.34
Rot. Bonds6

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

4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide (PubChem CID 9321254) has the molecular formula C18H23ClN4O5 and a molecular weight of 410.86 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide
PubChem CID9321254
Molecular FormulaC18H23ClN4O5
Molecular Weight410.86 g/mol
Exact Mass410.14
IUPAC Name4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN4O5/c1-13(24)22-8-10-23(11-9-22)18(27)7-6-16(25)20-21-17(26)12-28-15-5-3-2-4-14(15)19/h2-5H,6-12H2,1H3,(H,20,25)(H,21,26)
InChIKeySPPFKSKSKOFOBZ-UHFFFAOYSA-N
XLogP0.34
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 50.34
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

4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
2-(2-chlorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026861
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4922767
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
4-(2-chlorophenoxy)-1-[4-(3-methoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536281
1-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(2-chlorophenoxy)propan-2-one
CID 167577563
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide (CID 9321254) is 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide is CC(=O)N1CCN(C(=O)CCC(=O)NNC(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide?
The InChIKey is SPPFKSKSKOFOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O5/c1-13(24)22-8-10-23(11-9-22)18(27)7-6-16(25)20-21-17(26)12-28-15-5-3-2-4-14(15)19/h2-5H,6-12H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide?
4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide has a molecular weight of 410.86 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide is sourced from PubChem (CID 9321254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).