(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone

C11H13Br2NO2S — CID 47131293

IUPAC(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C11H13Br2NO2S/c1-16-7-2-4-14(5-3-7)11(15)9-6-8(12)10(13)17-9/h6-7H,2-5H2,1H3
InChIKeyPVIBCFTZQPOBPK-UHFFFAOYSA-N
MW383.11 g/mol
LogP3.52
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone

(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 47131293) has the molecular formula C11H13Br2NO2S and a molecular weight of 383.11 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID47131293
Molecular FormulaC11H13Br2NO2S
Molecular Weight383.11 g/mol
Exact Mass380.90
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C11H13Br2NO2S/c1-16-7-2-4-14(5-3-7)11(15)9-6-8(12)10(13)17-9/h6-7H,2-5H2,1H3
InChIKeyPVIBCFTZQPOBPK-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
(4,5-dibromothiophen-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552409
(4,5-dibromothiophen-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79036661
[4-(1-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537973
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
(4,5-dibromothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900858
N-[1-(4,5-dibromothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 112723098
[4-(2-aminoethyl)piperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537560
(2-bromo-5-sulfanylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 107022638
(4-methoxypiperidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 71943781
(4,5-dibromothiophen-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43390963

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone (CID 47131293) is (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is PVIBCFTZQPOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2S/c1-16-7-2-4-14(5-3-7)11(15)9-6-8(12)10(13)17-9/h6-7H,2-5H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone?
(4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 383.11 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 47131293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).