N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide

C13H16FIN2O — CID 79766315

IUPACN-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C13H16FIN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyGJLSMBRWHNTSMQ-UHFFFAOYSA-N
MW362.19 g/mol
LogP3.69
Rot. Bonds1

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

N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79766315) has the molecular formula C13H16FIN2O and a molecular weight of 362.19 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID79766315
Molecular FormulaC13H16FIN2O
Molecular Weight362.19 g/mol
Exact Mass362.03
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(F)cc2I)CC1
InChIInChI=1S/C13H16FIN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyGJLSMBRWHNTSMQ-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971
N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 78839686
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744420
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
1-[(4-fluoro-2-iodophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 79767001
1-[(2,4-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16770140
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide (CID 79766315) is N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(F)cc2I)CC1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is GJLSMBRWHNTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide?
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 362.19 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79766315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).