1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide

C16H19Cl2N3O4 — CID 17479123

IUPAC1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCC(=O)N1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2N3O4/c1-10(22)21-6-4-11(5-7-21)16(24)20-19-15(23)9-25-14-3-2-12(17)8-13(14)18/h2-3,8,11H,4-7,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyKVLPIEDJVXIGBE-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.78
Rot. Bonds4

About 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide

1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 17479123) has the molecular formula C16H19Cl2N3O4 and a molecular weight of 388.25 g/mol. Its IUPAC name is 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID17479123
Molecular FormulaC16H19Cl2N3O4
Molecular Weight388.25 g/mol
Exact Mass387.08
IUPAC Name1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCC(=O)N1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H19Cl2N3O4/c1-10(22)21-6-4-11(5-7-21)16(24)20-19-15(23)9-25-14-3-2-12(17)8-13(14)18/h2-3,8,11H,4-7,9H2,1H3,(H,19,23)(H,20,24)
InChIKeyKVLPIEDJVXIGBE-UHFFFAOYSA-N
XLogP1.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
CID 55343438
(1R,6R)-N'-[2-(2,4-dichlorophenoxy)acetyl]bicyclo[4.1.0]heptane-7-carbohydrazide
CID 1378778
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
(3S)-1-[2-(2,4-dichlorophenoxy)acetyl]-N-ethylpyrrolidine-3-carboxamide
CID 97141170
cis-(1R,2S)-2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 40546144
2-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5227187
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561064
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761205

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide (CID 17479123) is 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide is CC(=O)N1CCC(C(=O)NNC(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is KVLPIEDJVXIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O4/c1-10(22)21-6-4-11(5-7-21)16(24)20-19-15(23)9-25-14-3-2-12(17)8-13(14)18/h2-3,8,11H,4-7,9H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide?
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 388.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 17479123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).