1-(4-chloro-3-iodobenzoyl)piperidin-4-one

C12H11ClINO2 — CID 67568903

IUPAC1-(4-chloro-3-iodobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1
InChIInChI=1S/C12H11ClINO2/c13-10-2-1-8(7-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyAERDRVYHLBJJRG-UHFFFAOYSA-N
MW363.58 g/mol
LogP2.75
Rot. Bonds1

About 1-(4-chloro-3-iodobenzoyl)piperidin-4-one

1-(4-chloro-3-iodobenzoyl)piperidin-4-one (PubChem CID 67568903) has the molecular formula C12H11ClINO2 and a molecular weight of 363.58 g/mol. Its IUPAC name is 1-(4-chloro-3-iodobenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-3-iodobenzoyl)piperidin-4-one
PubChem CID67568903
Molecular FormulaC12H11ClINO2
Molecular Weight363.58 g/mol
Exact Mass362.95
IUPAC Name1-(4-chloro-3-iodobenzoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1
InChIInChI=1S/C12H11ClINO2/c13-10-2-1-8(7-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2
InChIKeyAERDRVYHLBJJRG-UHFFFAOYSA-N
XLogP2.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-iodophenyl)-piperazin-1-ylmethanone
CID 119403690
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
CID 81295410
(4-aminopiperidin-1-yl)-(4-chloro-3-iodophenyl)methanone;hydrochloride
CID 119376696
(4-chloro-3-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039261
4-(4-oxopiperidine-1-carbonyl)benzoic acid
CID 2757374
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
(4-chloro-3-iodophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119639188
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
4-chloro-3-iodobenzoyl chloride
CID 57349940
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-iodobenzoyl)piperidin-4-one?
The IUPAC name of 1-(4-chloro-3-iodobenzoyl)piperidin-4-one (CID 67568903) is 1-(4-chloro-3-iodobenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(4-chloro-3-iodobenzoyl)piperidin-4-one?
The canonical SMILES for 1-(4-chloro-3-iodobenzoyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc(Cl)c(I)c2)CC1.
What is the InChIKey of 1-(4-chloro-3-iodobenzoyl)piperidin-4-one?
The InChIKey is AERDRVYHLBJJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClINO2/c13-10-2-1-8(7-11(10)14)12(17)15-5-3-9(16)4-6-15/h1-2,7H,3-6H2.
What are the key properties of 1-(4-chloro-3-iodobenzoyl)piperidin-4-one?
1-(4-chloro-3-iodobenzoyl)piperidin-4-one has a molecular weight of 363.58 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-iodobenzoyl)piperidin-4-one is sourced from PubChem (CID 67568903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).