N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide

C15H21FN4O — CID 6899264

IUPACN-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)N/N=C/c2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O/c1-19-8-10-20(11-9-19)7-6-15(21)18-17-12-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,18,21)/b17-12+
InChIKeyZJDVPJQSXIAYBI-SFQUDFHCSA-N
MW292.36 g/mol
LogP0.91
Rot. Bonds5

About N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide

N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 6899264) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID6899264
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC NameN-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)N/N=C/c2ccccc2F)CC1
InChIInChI=1S/C15H21FN4O/c1-19-8-10-20(11-9-19)7-6-15(21)18-17-12-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,18,21)/b17-12+
InChIKeyZJDVPJQSXIAYBI-SFQUDFHCSA-N
XLogP0.91
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide (CID 6899264) is N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)N/N=C/c2ccccc2F)CC1.
What is the InChIKey of N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is ZJDVPJQSXIAYBI-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-19-8-10-20(11-9-19)7-6-15(21)18-17-12-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,18,21)/b17-12+.
What are the key properties of N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-fluorophenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 6899264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).