(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone

C10H11BrINOS — CID 80661761

IUPAC(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(Br)CC1
InChIInChI=1S/C10H11BrINOS/c11-8-1-3-13(4-2-8)10(14)7-5-9(12)15-6-7/h5-6,8H,1-4H2
InChIKeyLVHYZSWYDLXONN-UHFFFAOYSA-N
MW400.08 g/mol
LogP3.35
Rot. Bonds1

About (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone

(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 80661761) has the molecular formula C10H11BrINOS and a molecular weight of 400.08 g/mol. Its IUPAC name is (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID80661761
Molecular FormulaC10H11BrINOS
Molecular Weight400.08 g/mol
Exact Mass398.88
IUPAC Name(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(Br)CC1
InChIInChI=1S/C10H11BrINOS/c11-8-1-3-13(4-2-8)10(14)7-5-9(12)15-6-7/h5-6,8H,1-4H2
InChIKeyLVHYZSWYDLXONN-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.08
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 78949980
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80553930

Frequently Asked Questions

What is the IUPAC name of (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone (CID 80661761) is (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCC(Br)CC1.
What is the InChIKey of (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is LVHYZSWYDLXONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINOS/c11-8-1-3-13(4-2-8)10(14)7-5-9(12)15-6-7/h5-6,8H,1-4H2.
What are the key properties of (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 400.08 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 80661761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).