N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide

C15H22N4O — CID 142869899

IUPACN'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide
SMILESCC1=CC=CC(/N=C(\N)C(=O)N2CCN(C)CC2)C=C1
InChIInChI=1S/C15H22N4O/c1-12-4-3-5-13(7-6-12)17-14(16)15(20)19-10-8-18(2)9-11-19/h3-7,13H,8-11H2,1-2H3,(H2,16,17)
InChIKeyZHTNIYMNJJUBJP-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.56
Rot. Bonds1

About N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide

N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide (PubChem CID 142869899) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide.

Molecular Properties

Compound NameN'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide
PubChem CID142869899
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide
SMILESCC1=CC=CC(/N=C(\N)C(=O)N2CCN(C)CC2)C=C1
InChIInChI=1S/C15H22N4O/c1-12-4-3-5-13(7-6-12)17-14(16)15(20)19-10-8-18(2)9-11-19/h3-7,13H,8-11H2,1-2H3,(H2,16,17)
InChIKeyZHTNIYMNJJUBJP-UHFFFAOYSA-N
XLogP0.56
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.56
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide?
The IUPAC name of N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide (CID 142869899) is N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide.
What is the SMILES notation for N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide?
The canonical SMILES for N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide is CC1=CC=CC(/N=C(\N)C(=O)N2CCN(C)CC2)C=C1.
What is the InChIKey of N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide?
The InChIKey is ZHTNIYMNJJUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-4-3-5-13(7-6-12)17-14(16)15(20)19-10-8-18(2)9-11-19/h3-7,13H,8-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide?
N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide has a molecular weight of 274.37 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylcyclohepta-2,4,6-trien-1-yl)-2-(4-methylpiperazin-1-yl)-2-oxoethanimidamide is sourced from PubChem (CID 142869899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).