N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide

C14H16IN3O — CID 54904713

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
SMILESCN1CCC(C#N)(NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C14H16IN3O/c1-18-8-6-14(10-16,7-9-18)17-13(19)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,17,19)
InChIKeyMYONXAFLNYFLDD-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.01
Rot. Bonds2

About N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide (PubChem CID 54904713) has the molecular formula C14H16IN3O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
PubChem CID54904713
Molecular FormulaC14H16IN3O
Molecular Weight369.21 g/mol
Exact Mass369.03
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
SMILESCN1CCC(C#N)(NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C14H16IN3O/c1-18-8-6-14(10-16,7-9-18)17-13(19)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,17,19)
InChIKeyMYONXAFLNYFLDD-UHFFFAOYSA-N
XLogP2.01
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1-methylpiperidin-4-yl)-2-methoxybenzamide
CID 60967121
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
CID 23500829
1-(4-cyano-1-methylpiperidin-4-yl)-3-(3-methylphenyl)urea
CID 61124171
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
N-(1-cyanocyclopropyl)-4,5-difluoro-2-iodobenzamide
CID 71969796
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide (CID 54904713) is N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide is CN1CCC(C#N)(NC(=O)c2ccccc2I)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide?
The InChIKey is MYONXAFLNYFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O/c1-18-8-6-14(10-16,7-9-18)17-13(19)11-4-2-3-5-12(11)15/h2-5H,6-9H2,1H3,(H,17,19).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide has a molecular weight of 369.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide is sourced from PubChem (CID 54904713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).