N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide

C16H24ClIN4O — CID 111043317

IUPACN-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCNC(=O)c2ccccc2Cl)C1.I
InChIInChI=1S/C16H23ClN4O.HI/c1-12-5-4-10-21(11-12)16(18)20-9-8-19-15(22)13-6-2-3-7-14(13)17;/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,18,20)(H,19,22);1H
InChIKeyYFFAZHGJWNTQJW-UHFFFAOYSA-N
MW450.75 g/mol
LogP2.73
Rot. Bonds4

About N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide

N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide (PubChem CID 111043317) has the molecular formula C16H24ClIN4O and a molecular weight of 450.75 g/mol. Its IUPAC name is N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
PubChem CID111043317
Molecular FormulaC16H24ClIN4O
Molecular Weight450.75 g/mol
Exact Mass450.07
IUPAC NameN-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCNC(=O)c2ccccc2Cl)C1.I
InChIInChI=1S/C16H23ClN4O.HI/c1-12-5-4-10-21(11-12)16(18)20-9-8-19-15(22)13-6-2-3-7-14(13)17;/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,18,20)(H,19,22);1H
InChIKeyYFFAZHGJWNTQJW-UHFFFAOYSA-N
XLogP2.73
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;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

N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-3-bromobenzamide
CID 111095102
N-[2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 119118104
N'-[3-(2-chlorophenyl)propyl]-3-methylpiperidine-1-carboximidamide
CID 111806836
2-chloro-N-[2-(diaminomethylideneamino)ethyl]benzamide;hydroiodide
CID 110918726
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092451
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
3-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092452
N'-(2-chloroanilino)-3-methylpiperidine-1-carboximidamide
CID 10445670
N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111043993
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055830

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide (CID 111043317) is N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide is CC1CCCN(/C(N)=N/CCNC(=O)c2ccccc2Cl)C1.I.
What is the InChIKey of N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
The InChIKey is YFFAZHGJWNTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O.HI/c1-12-5-4-10-21(11-12)16(18)20-9-8-19-15(22)13-6-2-3-7-14(13)17;/h2-3,6-7,12H,4-5,8-11H2,1H3,(H2,18,20)(H,19,22);1H.
What are the key properties of N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide?
N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide has a molecular weight of 450.75 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide is sourced from PubChem (CID 111043317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).