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

C18H21N3O — CID 172879254

IUPAC1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C18H21N3O/c1-14(22)18(21-11-5-2-6-12-21)20-19-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3
InChIKeyOCXXPBXETRYBBF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.64
Rot. Bonds3

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

1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one (PubChem CID 172879254) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one
PubChem CID172879254
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one
SMILESCC(=O)C(=NNc1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C18H21N3O/c1-14(22)18(21-11-5-2-6-12-21)20-19-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3
InChIKeyOCXXPBXETRYBBF-UHFFFAOYSA-N
XLogP3.64
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
The IUPAC name of 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one (CID 172879254) is 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one.
What is the SMILES notation for 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
The canonical SMILES for 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one is CC(=O)C(=NNc1ccc2ccccc2c1)N1CCCCC1.
What is the InChIKey of 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
The InChIKey is OCXXPBXETRYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(22)18(21-11-5-2-6-12-21)20-19-17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12H2,1H3.
What are the key properties of 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one?
1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one has a molecular weight of 295.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylhydrazinylidene)-1-piperidin-1-ylpropan-2-one is sourced from PubChem (CID 172879254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).