1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide

C13H18IN3O — CID 103194316

IUPAC1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(I)cc2N)C1
InChIInChI=1S/C13H18IN3O/c1-16-13(18)9-3-2-6-17(8-9)12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyLYBOEZPZOLIUBF-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194316) has the molecular formula C13H18IN3O and a molecular weight of 359.21 g/mol. Its IUPAC name is 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194316
Molecular FormulaC13H18IN3O
Molecular Weight359.21 g/mol
Exact Mass359.05
IUPAC Name1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(I)cc2N)C1
InChIInChI=1S/C13H18IN3O/c1-16-13(18)9-3-2-6-17(8-9)12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18)
InChIKeyLYBOEZPZOLIUBF-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide 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

1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194407
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196774
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide (CID 103194316) is 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(I)cc2N)C1.
What is the InChIKey of 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is LYBOEZPZOLIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O/c1-16-13(18)9-3-2-6-17(8-9)12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,16,18).
What are the key properties of 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 359.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).