2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid

C14H16FIN2O3 — CID 79760864

IUPAC2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H16FIN2O3/c15-9-4-5-12(11(16)7-9)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyPDRXLPURDZFXTN-UHFFFAOYSA-N
MW406.20 g/mol
LogP3.29
Rot. Bonds3

About 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 79760864) has the molecular formula C14H16FIN2O3 and a molecular weight of 406.20 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID79760864
Molecular FormulaC14H16FIN2O3
Molecular Weight406.20 g/mol
Exact Mass406.02
IUPAC Name2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C14H16FIN2O3/c15-9-4-5-12(11(16)7-9)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20)
InChIKeyPDRXLPURDZFXTN-UHFFFAOYSA-N
XLogP3.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.20
LogP ≤ 53.29
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

2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61182627
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744420
2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61476008
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79766101
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
2-[1-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372529
2-[1-[(2,4-difluorophenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62227398
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
N-(4-fluoro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 79766315
2-[1-(3-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 54899661

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid (CID 79760864) is 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is PDRXLPURDZFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FIN2O3/c15-9-4-5-12(11(16)7-9)17-14(21)18-6-2-1-3-10(18)8-13(19)20/h4-5,7,10H,1-3,6,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 406.20 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 79760864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).