1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one

C18H22N4O — CID 172879262

IUPAC1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1cccc2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C18H22N4O/c1-14(23)18(22-12-10-21(2)11-13-22)20-19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,19H,10-13H2,1-2H3
InChIKeySRHMOGURCQIZBF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one

1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one (PubChem CID 172879262) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
PubChem CID172879262
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one
SMILESCC(=O)C(=NNc1cccc2ccccc12)N1CCN(C)CC1
InChIInChI=1S/C18H22N4O/c1-14(23)18(22-12-10-21(2)11-13-22)20-19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,19H,10-13H2,1-2H3
InChIKeySRHMOGURCQIZBF-UHFFFAOYSA-N
XLogP2.40
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one (CID 172879262) is 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one is CC(=O)C(=NNc1cccc2ccccc12)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
The InChIKey is SRHMOGURCQIZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14(23)18(22-12-10-21(2)11-13-22)20-19-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,19H,10-13H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one?
1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-1-(naphthalen-1-ylhydrazinylidene)propan-2-one is sourced from PubChem (CID 172879262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).