N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide

C17H32IN5O — CID 75512751

IUPACN-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
SMILESCCCC1CC1N/C(=N/C)N1CCN(CC(=O)NC2CC2)CC1.I
InChIInChI=1S/C17H31N5O.HI/c1-3-4-13-11-15(13)20-17(18-2)22-9-7-21(8-10-22)12-16(23)19-14-5-6-14;/h13-15H,3-12H2,1-2H3,(H,18,20)(H,19,23);1H
InChIKeyBGSIZVDIDUDONL-UHFFFAOYSA-N
MW449.38 g/mol
LogP1.26
Rot. Bonds6

About N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide

N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide (PubChem CID 75512751) has the molecular formula C17H32IN5O and a molecular weight of 449.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
PubChem CID75512751
Molecular FormulaC17H32IN5O
Molecular Weight449.38 g/mol
Exact Mass449.17
IUPAC NameN-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
SMILESCCCC1CC1N/C(=N/C)N1CCN(CC(=O)NC2CC2)CC1.I
InChIInChI=1S/C17H31N5O.HI/c1-3-4-13-11-15(13)20-17(18-2)22-9-7-21(8-10-22)12-16(23)19-14-5-6-14;/h13-15H,3-12H2,1-2H3,(H,18,20)(H,19,23);1H
InChIKeyBGSIZVDIDUDONL-UHFFFAOYSA-N
XLogP1.26
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(N-cyclobutyl-N'-methylcarbamimidoyl)piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 119153497
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
N-cyclopropyl-2-[4-(N'-methyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylcarbamimidoyl)piperazin-1-yl]acetamide;hydroiodide
CID 109403058
N-cyclopropyl-2-[4-[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111518518
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
N-cyclopropyl-2-[4-[N'-methyl-N-(2-phenylsulfanylpropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide
CID 111496227
2-[4-[N-[2-(4-chlorophenoxy)propyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-cyclopropylacetamide;hydroiodide
CID 111518526
N-(2-benzylcyclopropyl)-N'-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 119161477
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
2-[[C-(4-acetylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]-N-cyclopropylacetamide
CID 119115989
ethyl 4-[[N'-ethyl-N-(2-propylcyclopropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111838324
2-[4-[N-[(5-cyano-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-cyclopropylacetamide;hydroiodide
CID 111498887

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide?
The IUPAC name of N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide (CID 75512751) is N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide is CCCC1CC1N/C(=N/C)N1CCN(CC(=O)NC2CC2)CC1.I.
What is the InChIKey of N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide?
The InChIKey is BGSIZVDIDUDONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O.HI/c1-3-4-13-11-15(13)20-17(18-2)22-9-7-21(8-10-22)12-16(23)19-14-5-6-14;/h13-15H,3-12H2,1-2H3,(H,18,20)(H,19,23);1H.
What are the key properties of N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide?
N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide has a molecular weight of 449.38 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[N'-methyl-N-(2-propylcyclopropyl)carbamimidoyl]piperazin-1-yl]acetamide;hydroiodide is sourced from PubChem (CID 75512751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).