1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide

C13H18IN3O — CID 66064522

IUPAC1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc(I)cc1N
InChIInChI=1S/C13H18IN3O/c1-8-2-3-9(13(16)18)7-17(8)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeyWRHVIAXZSLPXHP-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide

1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide (PubChem CID 66064522) has the molecular formula C13H18IN3O and a molecular weight of 359.21 g/mol. Its IUPAC name is 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
PubChem CID66064522
Molecular FormulaC13H18IN3O
Molecular Weight359.21 g/mol
Exact Mass359.05
IUPAC Name1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc(I)cc1N
InChIInChI=1S/C13H18IN3O/c1-8-2-3-9(13(16)18)7-17(8)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18)
InChIKeyWRHVIAXZSLPXHP-UHFFFAOYSA-N
XLogP1.96
TPSA72.35 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 ≤ 51.96
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)-6-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-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 66077237
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
CID 83205781
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 63372713
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 78935524
1-[4-[(1S)-1-aminoethyl]-2-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 63368743
1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 82968353
1-(3-amino-6-methyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 81131851
1-(5-amino-1H-pyrazol-4-yl)-6-methylpiperidine-3-carboxamide
CID 82235443
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
CID 114845026
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-6-methylpiperidine-3-carboxamide
CID 62911163

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide (CID 66064522) is 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1ccc(I)cc1N.
What is the InChIKey of 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is WRHVIAXZSLPXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O/c1-8-2-3-9(13(16)18)7-17(8)12-5-4-10(14)6-11(12)15/h4-6,8-9H,2-3,7,15H2,1H3,(H2,16,18).
What are the key properties of 1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide?
1-(2-amino-4-iodophenyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 359.21 g/mol, XLogP of 1.96, 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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 66064522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).