1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one

C17H20N4O — CID 172879250

IUPAC1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one
SMILESCC(=O)C(=NNc1cccc2ccccc12)N1CCNCC1
InChIInChI=1S/C17H20N4O/c1-13(22)17(21-11-9-18-10-12-21)20-19-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,18-19H,9-12H2,1H3
InChIKeyNKFJJPPTRRJRQK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds3

About 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one

1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one (PubChem CID 172879250) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one
PubChem CID172879250
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one
SMILESCC(=O)C(=NNc1cccc2ccccc12)N1CCNCC1
InChIInChI=1S/C17H20N4O/c1-13(22)17(21-11-9-18-10-12-21)20-19-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,18-19H,9-12H2,1H3
InChIKeyNKFJJPPTRRJRQK-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-1-(naphthalen-2-yl-hydrazono)-propan-2-one
CID 172879323
1-(Biphenyl-2-yl-hydrazono)-1-[4-(4-fluoro-phenyl)-piperazin-1-yl]-propan-2-one
CID 172879331
(1E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
CID 177850937
1-(Naphthalen-1-yl-hydrazono)-1-piperidin-1-yl-propan-2-one
CID 172879249
1-Morpholin-4-yl-1-(naphthalen-1-ylhydrazono)-propan-2-one
CID 172879251
1-(Naphthalen-1-yl-hydrazono)-1-thiomorpholin-4-yl-propan-2-one
CID 172879252
1-(Naphthalen-2-yl-hydrazono)-1-piperidin-1-yl-propan-2-one
CID 172879254
1-(Naphthalen-2-yl-hydrazono)-1-piperazin-1-yl-propan-2-one
CID 172879255
1-Morpholin-4-yl-1-(naphthalen-2-yl-hydrazono)-propan-2-one
CID 172879256
1-(Naphthalen-2-yl-hydrazono)-1-thiomorpholin-4-yl-propan-2-one
CID 172879257
1-(4-Methylpiperazin-1-yl)-1-(2-(naphthalen-1-yl)hydrazineylidene)propan-2-one
CID 172879262
1-(4-Methyl-piperazin-1-yl)-1-{[3-(propenyl)-4-vinyl-phenyl]-hydrazono}-propan-2-one
CID 172879266

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one?
The IUPAC name of 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one (CID 172879250) is 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one.
What is the SMILES notation for 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one?
The canonical SMILES for 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one is CC(=O)C(=NNc1cccc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one?
The InChIKey is NKFJJPPTRRJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13(22)17(21-11-9-18-10-12-21)20-19-16-8-4-6-14-5-2-3-7-15(14)16/h2-8,18-19H,9-12H2,1H3.
What are the key properties of 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one?
1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylhydrazinylidene)-1-piperazin-1-ylpropan-2-one is sourced from PubChem (CID 172879250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).