N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide

C24H34N6 — CID 3013121

IUPACN'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(N2CCN(c3ccc(/C(N)=N/CCC)cc3)CC2)cc1
InChIInChI=1S/C24H34N6/c1-3-13-27-23(25)19-5-9-21(10-6-19)29-15-17-30(18-16-29)22-11-7-20(8-12-22)24(26)28-14-4-2/h5-12H,3-4,13-18H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyJHFCDIPTVHXIEW-UHFFFAOYSA-N
MW406.58 g/mol
LogP3.24
Rot. Bonds8

About N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide

N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide (PubChem CID 3013121) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide
PubChem CID3013121
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC NameN'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(N2CCN(c3ccc(/C(N)=N/CCC)cc3)CC2)cc1
InChIInChI=1S/C24H34N6/c1-3-13-27-23(25)19-5-9-21(10-6-19)29-15-17-30(18-16-29)22-11-7-20(8-12-22)24(26)28-14-4-2/h5-12H,3-4,13-18H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyJHFCDIPTVHXIEW-UHFFFAOYSA-N
XLogP3.24
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 53.24
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'}

Analyze N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide?
The IUPAC name of N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide (CID 3013121) is N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide is CCC/N=C(\N)c1ccc(N2CCN(c3ccc(/C(N)=N/CCC)cc3)CC2)cc1.
What is the InChIKey of N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide?
The InChIKey is JHFCDIPTVHXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c1-3-13-27-23(25)19-5-9-21(10-6-19)29-15-17-30(18-16-29)22-11-7-20(8-12-22)24(26)28-14-4-2/h5-12H,3-4,13-18H2,1-2H3,(H2,25,27)(H2,26,28).
What are the key properties of N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide?
N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide has a molecular weight of 406.58 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-4-[4-[4-(N'-propylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 3013121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).