2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid

C14H16INO4 — CID 63869906

IUPAC2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H16INO4/c15-11-3-1-10(2-4-11)14(19)16-7-5-12(6-8-16)20-9-13(17)18/h1-4,12H,5-9H2,(H,17,18)
InChIKeyZILLQBXTPUPQSN-UHFFFAOYSA-N
MW389.19 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid

2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869906) has the molecular formula C14H16INO4 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869906
Molecular FormulaC14H16INO4
Molecular Weight389.19 g/mol
Exact Mass389.01
IUPAC Name2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccc(I)cc2)CC1
InChIInChI=1S/C14H16INO4/c15-11-3-1-10(2-4-11)14(19)16-7-5-12(6-8-16)20-9-13(17)18/h1-4,12H,5-9H2,(H,17,18)
InChIKeyZILLQBXTPUPQSN-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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

2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(4-aminopiperidin-1-yl)-(4-iodophenyl)methanone
CID 43556171
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869212
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
2-[1-(5-chloro-2-hydroxybenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869220

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid (CID 63869906) is 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2ccc(I)cc2)CC1.
What is the InChIKey of 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ZILLQBXTPUPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO4/c15-11-3-1-10(2-4-11)14(19)16-7-5-12(6-8-16)20-9-13(17)18/h1-4,12H,5-9H2,(H,17,18).
What are the key properties of 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 389.19 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).