1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide

C13H17FIN3O — CID 103194407

IUPAC1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(F)c(I)cc2N)C1
InChIInChI=1S/C13H17FIN3O/c1-17-13(19)8-3-2-4-18(7-8)12-5-9(14)10(15)6-11(12)16/h5-6,8H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyJUXIDDVBEWIUHG-UHFFFAOYSA-N
MW377.20 g/mol
LogP1.97
Rot. Bonds2

About 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide

1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103194407) has the molecular formula C13H17FIN3O and a molecular weight of 377.20 g/mol. Its IUPAC name is 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
PubChem CID103194407
Molecular FormulaC13H17FIN3O
Molecular Weight377.20 g/mol
Exact Mass377.04
IUPAC Name1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2cc(F)c(I)cc2N)C1
InChIInChI=1S/C13H17FIN3O/c1-17-13(19)8-3-2-4-18(7-8)12-5-9(14)10(15)6-11(12)16/h5-6,8H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyJUXIDDVBEWIUHG-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.97
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'}

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Related Compounds

1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 103196242
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196736
1-[2-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194586
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66099728
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide (CID 103194407) is 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2cc(F)c(I)cc2N)C1.
What is the InChIKey of 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is JUXIDDVBEWIUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FIN3O/c1-17-13(19)8-3-2-4-18(7-8)12-5-9(14)10(15)6-11(12)16/h5-6,8H,2-4,7,16H2,1H3,(H,17,19).
What are the key properties of 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide?
1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 377.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoro-4-iodophenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).