2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one

C16H20INO2S — CID 79691487

IUPAC2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C16H20INO2S/c17-15-9-11(10-21-15)16(20)18-8-4-3-6-13(18)12-5-1-2-7-14(12)19/h9-10,12-13H,1-8H2
InChIKeyYSYMSKDYXHMDDB-UHFFFAOYSA-N
MW417.31 g/mol
LogP4.11
Rot. Bonds2

About 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 79691487) has the molecular formula C16H20INO2S and a molecular weight of 417.31 g/mol. Its IUPAC name is 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID79691487
Molecular FormulaC16H20INO2S
Molecular Weight417.31 g/mol
Exact Mass417.03
IUPAC Name2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1C(=O)c1csc(I)c1
InChIInChI=1S/C16H20INO2S/c17-15-9-11(10-21-15)16(20)18-8-4-3-6-13(18)12-5-1-2-7-14(12)19/h9-10,12-13H,1-8H2
InChIKeyYSYMSKDYXHMDDB-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553480
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
2-[1-(4-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79538176
2-[1-(4-bromobenzoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539470
2-[1-(5-methylfuran-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114820809
2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79539412
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538753
2-[1-(5-fluoropyridine-3-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115697992
[4-[2-(2-oxocyclohexyl)azepane-1-carbonyl]phenyl]methylurea
CID 102559378
(4aS,8aR)-1-benzoyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 754278
(2S)-2-[(2R)-1-[3-(1,3-thiazol-2-yloxy)benzoyl]azepan-2-yl]cyclohexan-1-one
CID 99717722
2-[1-[3-(1,3-thiazol-2-yloxy)benzoyl]azepan-2-yl]cyclohexan-1-one
CID 102560066

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one (CID 79691487) is 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1C(=O)c1csc(I)c1.
What is the InChIKey of 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is YSYMSKDYXHMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INO2S/c17-15-9-11(10-21-15)16(20)18-8-4-3-6-13(18)12-5-1-2-7-14(12)19/h9-10,12-13H,1-8H2.
What are the key properties of 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 417.31 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-iodothiophene-3-carbonyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79691487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).