(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

C20H24IN3O2S — CID 90617849

IUPAC(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(I)cc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C20H24IN3O2S/c21-16-3-1-15(2-4-16)19(25)24-10-5-17(6-11-24)23-12-7-18(8-13-23)26-20-22-9-14-27-20/h1-4,9,14,17-18H,5-8,10-13H2
InChIKeyGTISWLREZCXNPK-UHFFFAOYSA-N
MW497.40 g/mol
LogP3.90
Rot. Bonds4

About (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone

(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 90617849) has the molecular formula C20H24IN3O2S and a molecular weight of 497.40 g/mol. Its IUPAC name is (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID90617849
Molecular FormulaC20H24IN3O2S
Molecular Weight497.40 g/mol
Exact Mass497.06
IUPAC Name(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(I)cc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C20H24IN3O2S/c21-16-3-1-15(2-4-16)19(25)24-10-5-17(6-11-24)23-12-7-18(8-13-23)26-20-22-9-14-27-20/h1-4,9,14,17-18H,5-8,10-13H2
InChIKeyGTISWLREZCXNPK-UHFFFAOYSA-N
XLogP3.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
4-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 90617599
(3,4-diethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617839
(3-chlorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617838
(2-fluorophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617593
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90617660
(3-phenylmethoxyphenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617761
phenyl-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150299
(2-methylquinolin-8-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 86264475
(4-tert-butylphenyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150576
2-pyrimidin-2-ylsulfanyl-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617879

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone (CID 90617849) is (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(I)cc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is GTISWLREZCXNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24IN3O2S/c21-16-3-1-15(2-4-16)19(25)24-10-5-17(6-11-24)23-12-7-18(8-13-23)26-20-22-9-14-27-20/h1-4,9,14,17-18H,5-8,10-13H2.
What are the key properties of (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone?
(4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 497.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 90617849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).