N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide

C16H24IN5O2 — CID 111048623

IUPACN-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
SMILESI.NC(=O)CNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C16H23N5O2.HI/c17-14(22)11-19-15(23)13-6-4-12(5-7-13)10-20-16(18)21-8-2-1-3-9-21;/h4-7H,1-3,8-11H2,(H2,17,22)(H2,18,20)(H,19,23);1H
InChIKeyCNZMIWJTJNGEPP-UHFFFAOYSA-N
MW445.31 g/mol
LogP0.82
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide

N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide (PubChem CID 111048623) has the molecular formula C16H24IN5O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
PubChem CID111048623
Molecular FormulaC16H24IN5O2
Molecular Weight445.31 g/mol
Exact Mass445.10
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
SMILESI.NC(=O)CNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1
InChIInChI=1S/C16H23N5O2.HI/c17-14(22)11-19-15(23)13-6-4-12(5-7-13)10-20-16(18)21-8-2-1-3-9-21;/h4-7H,1-3,8-11H2,(H2,17,22)(H2,18,20)(H,19,23);1H
InChIKeyCNZMIWJTJNGEPP-UHFFFAOYSA-N
XLogP0.82
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
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-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;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

4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111048452
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
methyl 1-[N'-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252338
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
4-[[[amino(diethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydroiodide
CID 111048573
4-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 111048600
ethyl 4-[N'-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-N-ethylcarbamimidoyl]piperazine-1-carboxylate
CID 111163949
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide
CID 110960632
N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 75511965
N-[3-[[amino(piperidin-1-yl)methylidene]amino]propyl]-4-bromobenzamide
CID 111094043
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[[1-(2-hydroxyethyl)cyclohexyl]methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 109476508
N-(2-amino-2-oxoethyl)-4-[[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110983335

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide (CID 111048623) is N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide is I.NC(=O)CNC(=O)c1ccc(C/N=C(\N)N2CCCCC2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide?
The InChIKey is CNZMIWJTJNGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.HI/c17-14(22)11-19-15(23)13-6-4-12(5-7-13)10-20-16(18)21-8-2-1-3-9-21;/h4-7H,1-3,8-11H2,(H2,17,22)(H2,18,20)(H,19,23);1H.
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide?
N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide has a molecular weight of 445.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[amino(piperidin-1-yl)methylidene]amino]methyl]benzamide;hydroiodide is sourced from PubChem (CID 111048623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).