5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid

C14H16INO4 — CID 45306729

IUPAC5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cc(I)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C14H16INO4/c15-10-4-5-12(11(8-10)14(18)19)20-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKeyZBETUWIKEIWXSF-UHFFFAOYSA-N
MW389.19 g/mol
LogP2.38
Rot. Bonds4

About 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid

5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 45306729) has the molecular formula C14H16INO4 and a molecular weight of 389.19 g/mol. Its IUPAC name is 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
PubChem CID45306729
Molecular FormulaC14H16INO4
Molecular Weight389.19 g/mol
Exact Mass389.01
IUPAC Name5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1cc(I)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C14H16INO4/c15-10-4-5-12(11(8-10)14(18)19)20-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKeyZBETUWIKEIWXSF-UHFFFAOYSA-N
XLogP2.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 52.38
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

5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377
4-iodo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoic acid
CID 114103502
2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
5-iodo-2-propoxybenzoic acid
CID 10804556
2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
CID 82995027
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid (CID 45306729) is 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid is O=C(O)c1cc(I)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is ZBETUWIKEIWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO4/c15-10-4-5-12(11(8-10)14(18)19)20-9-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 389.19 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 45306729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).