1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide

C20H26N10 — CID 134151155

IUPAC1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide
SMILESNC(=N\c1ccccc1)/N=C(\N)N1CCN(/C(N)=N/C(N)=N/c2ccccc2)CC1
InChIInChI=1S/C20H26N10/c21-17(25-15-7-3-1-4-8-15)27-19(23)29-11-13-30(14-12-29)20(24)28-18(22)26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,21,23,25,27)(H4,22,24,26,28)
InChIKeyCSZRZZFDERCVRH-UHFFFAOYSA-N
MW406.50 g/mol
LogP0.53
Rot. Bonds2

About 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide

1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide (PubChem CID 134151155) has the molecular formula C20H26N10 and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide.

Molecular Properties

Compound Name1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide
PubChem CID134151155
Molecular FormulaC20H26N10
Molecular Weight406.50 g/mol
Exact Mass406.23
IUPAC Name1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide
SMILESNC(=N\c1ccccc1)/N=C(\N)N1CCN(/C(N)=N/C(N)=N/c2ccccc2)CC1
InChIInChI=1S/C20H26N10/c21-17(25-15-7-3-1-4-8-15)27-19(23)29-11-13-30(14-12-29)20(24)28-18(22)26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,21,23,25,27)(H4,22,24,26,28)
InChIKeyCSZRZZFDERCVRH-UHFFFAOYSA-N
XLogP0.53
TPSA160.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide 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 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide?
The IUPAC name of 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide (CID 134151155) is 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide.
What is the SMILES notation for 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide?
The canonical SMILES for 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide is NC(=N\c1ccccc1)/N=C(\N)N1CCN(/C(N)=N/C(N)=N/c2ccccc2)CC1.
What is the InChIKey of 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide?
The InChIKey is CSZRZZFDERCVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N10/c21-17(25-15-7-3-1-4-8-15)27-19(23)29-11-13-30(14-12-29)20(24)28-18(22)26-16-9-5-2-6-10-16/h1-10H,11-14H2,(H4,21,23,25,27)(H4,22,24,26,28).
What are the key properties of 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide?
1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide has a molecular weight of 406.50 g/mol, XLogP of 0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis(N'-phenylcarbamimidoyl)piperazine-1,4-dicarboximidamide is sourced from PubChem (CID 134151155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).