(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone

C19H17ClINO3 — CID 155555471

IUPAC(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2I)CC1
InChIInChI=1S/C19H17ClINO3/c20-14-6-4-12(5-7-14)18(24)13-8-10-22(11-9-13)19(25)15-2-1-3-16(23)17(15)21/h1-7,13,23H,8-11H2
InChIKeyULOVAYDDBLLXOX-UHFFFAOYSA-N
MW469.71 g/mol
LogP4.39
Rot. Bonds3

About (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone (PubChem CID 155555471) has the molecular formula C19H17ClINO3 and a molecular weight of 469.71 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
PubChem CID155555471
Molecular FormulaC19H17ClINO3
Molecular Weight469.71 g/mol
Exact Mass468.99
IUPAC Name(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2I)CC1
InChIInChI=1S/C19H17ClINO3/c20-14-6-4-12(5-7-14)18(24)13-8-10-22(11-9-13)19(25)15-2-1-3-16(23)17(15)21/h1-7,13,23H,8-11H2
InChIKeyULOVAYDDBLLXOX-UHFFFAOYSA-N
XLogP4.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.71
LogP ≤ 54.39
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

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
CID 2738416
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155569023
2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
CID 6983797
(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]methanone
CID 75405119
4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 102558711

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone (CID 155555471) is (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2I)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone?
The InChIKey is ULOVAYDDBLLXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClINO3/c20-14-6-4-12(5-7-14)18(24)13-8-10-22(11-9-13)19(25)15-2-1-3-16(23)17(15)21/h1-7,13,23H,8-11H2.
What are the key properties of (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone has a molecular weight of 469.71 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155555471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).