1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C14H16FIN2O3 — CID 106744420

IUPAC1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H16FIN2O3/c1-8-6-9(13(19)20)4-5-18(8)14(21)17-12-3-2-10(15)7-11(12)16/h2-3,7-9H,4-6H2,1H3,(H,17,21)(H,19,20)
InChIKeyNWIONUUDUSBBOF-UHFFFAOYSA-N
MW406.20 g/mol
LogP3.15
Rot. Bonds2

About 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744420) has the molecular formula C14H16FIN2O3 and a molecular weight of 406.20 g/mol. Its IUPAC name is 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744420
Molecular FormulaC14H16FIN2O3
Molecular Weight406.20 g/mol
Exact Mass406.02
IUPAC Name1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H16FIN2O3/c1-8-6-9(13(19)20)4-5-18(8)14(21)17-12-3-2-10(15)7-11(12)16/h2-3,7-9H,4-6H2,1H3,(H,17,21)(H,19,20)
InChIKeyNWIONUUDUSBBOF-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.20
LogP ≤ 53.15
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

1-[(2-bromo-4-fluorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743945
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 79760864
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602
1-[(5-bromo-2-chlorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744270
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 63111965
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
1-[(2,6-dibromophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107601848
1-[(3-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742320

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744420) is 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is NWIONUUDUSBBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FIN2O3/c1-8-6-9(13(19)20)4-5-18(8)14(21)17-12-3-2-10(15)7-11(12)16/h2-3,7-9H,4-6H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 406.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).