4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid

C15H15IN2O3 — CID 69468516

IUPAC4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccnc3ccc(I)cc23)CC1
InChIInChI=1S/C15H15IN2O3/c16-10-1-2-13-12(9-10)14(3-6-17-13)21-11-4-7-18(8-5-11)15(19)20/h1-3,6,9,11H,4-5,7-8H2,(H,19,20)
InChIKeyIFDKUMQIJTVHMQ-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.36
Rot. Bonds2

About 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid

4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid (PubChem CID 69468516) has the molecular formula C15H15IN2O3 and a molecular weight of 398.20 g/mol. Its IUPAC name is 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid
PubChem CID69468516
Molecular FormulaC15H15IN2O3
Molecular Weight398.20 g/mol
Exact Mass398.01
IUPAC Name4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2ccnc3ccc(I)cc23)CC1
InChIInChI=1S/C15H15IN2O3/c16-10-1-2-13-12(9-10)14(3-6-17-13)21-11-4-7-18(8-5-11)15(19)20/h1-3,6,9,11H,4-5,7-8H2,(H,19,20)
InChIKeyIFDKUMQIJTVHMQ-UHFFFAOYSA-N
XLogP3.36
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.36
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

4-(4-chloroquinolin-6-yl)oxypiperidine-1-carboxylic acid
CID 121318195
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
4-(4-chloroquinolin-7-yl)oxypiperidine-1-carboxylic acid
CID 174166454
6-methoxy-4-(1-methylpyrrolidin-3-yl)oxyquinoline
CID 126953937
4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide
CID 163576137
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
4-(6-cyanoquinolin-4-yl)piperidine-1-carboxylic acid
CID 138687738
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
4-[[2-(5-fluoro-2-methyl-4-propoxyanilino)-3-methoxy-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 141148261
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
CID 166682866

Frequently Asked Questions

What is the IUPAC name of 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid (CID 69468516) is 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2ccnc3ccc(I)cc23)CC1.
What is the InChIKey of 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid?
The InChIKey is IFDKUMQIJTVHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3/c16-10-1-2-13-12(9-10)14(3-6-17-13)21-11-4-7-18(8-5-11)15(19)20/h1-3,6,9,11H,4-5,7-8H2,(H,19,20).
What are the key properties of 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid?
4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid has a molecular weight of 398.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69468516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).