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

C10H11BrINOS — CID 80660863

IUPAC(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCCC(Br)C1
InChIInChI=1S/C10H11BrINOS/c11-8-2-1-3-13(5-8)10(14)7-4-9(12)15-6-7/h4,6,8H,1-3,5H2
InChIKeyWLCPSGURPRUNNW-UHFFFAOYSA-N
MW400.08 g/mol
LogP3.35
Rot. Bonds1

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

(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 80660863) has the molecular formula C10H11BrINOS and a molecular weight of 400.08 g/mol. Its IUPAC name is (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID80660863
Molecular FormulaC10H11BrINOS
Molecular Weight400.08 g/mol
Exact Mass398.88
IUPAC Name(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCCC(Br)C1
InChIInChI=1S/C10H11BrINOS/c11-8-2-1-3-13(5-8)10(14)7-4-9(12)15-6-7/h4,6,8H,1-3,5H2
InChIKeyWLCPSGURPRUNNW-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

(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
methyl (3S)-1-(5-iodothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78949048
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
3-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81046340
(5-iodothiophen-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 78949850
(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
2-[1-(5-iodothiophene-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79684794
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
1-(5-iodothiophene-3-carbonyl)azetidine-3-carboxylic acid
CID 79684884

Frequently Asked Questions

What is the IUPAC name of (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone (CID 80660863) is (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)N1CCCC(Br)C1.
What is the InChIKey of (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is WLCPSGURPRUNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINOS/c11-8-2-1-3-13(5-8)10(14)7-4-9(12)15-6-7/h4,6,8H,1-3,5H2.
What are the key properties of (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone?
(3-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 (3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 80660863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).