N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide

C14H19IN2O — CID 114257371

IUPACN-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
SMILESCc1ccc(I)cc1NC(=O)C1NCCCC1C
InChIInChI=1S/C14H19IN2O/c1-9-5-6-11(15)8-12(9)17-14(18)13-10(2)4-3-7-16-13/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyBBFZVOZCJOKBBU-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.93
Rot. Bonds2

About N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide

N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 114257371) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
PubChem CID114257371
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
SMILESCc1ccc(I)cc1NC(=O)C1NCCCC1C
InChIInChI=1S/C14H19IN2O/c1-9-5-6-11(15)8-12(9)17-14(18)13-10(2)4-3-7-16-13/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyBBFZVOZCJOKBBU-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-(4-fluoro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107068357
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-(2-bromo-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 107068466
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
CID 107068565
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
3-methyl-N-(8-methylquinolin-5-yl)piperidine-2-carboxamide
CID 107067502

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide (CID 114257371) is N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide is Cc1ccc(I)cc1NC(=O)C1NCCCC1C.
What is the InChIKey of N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is BBFZVOZCJOKBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-9-5-6-11(15)8-12(9)17-14(18)13-10(2)4-3-7-16-13/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide?
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).