(4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

C14H14BrNOS2 — CID 71807072

IUPAC(4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)cs1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C14H14BrNOS2/c15-12-7-13(19-9-12)14(17)16-4-1-10(2-5-16)11-3-6-18-8-11/h3,6-10H,1-2,4-5H2
InChIKeySWSWVROGFGATFX-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.59
Rot. Bonds2

About (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone

(4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (PubChem CID 71807072) has the molecular formula C14H14BrNOS2 and a molecular weight of 356.31 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
PubChem CID71807072
Molecular FormulaC14H14BrNOS2
Molecular Weight356.31 g/mol
Exact Mass354.97
IUPAC Name(4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(Br)cs1)N1CCC(c2ccsc2)CC1
InChIInChI=1S/C14H14BrNOS2/c15-12-7-13(19-9-12)14(17)16-4-1-10(2-5-16)11-3-6-18-8-11/h3,6-10H,1-2,4-5H2
InChIKeySWSWVROGFGATFX-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 2225166
(4,5-dibromothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4846218
1-[(5-Bromo-2-thienyl)carbonyl]-4-(3-phenyl-2-propen-1-yl)piperazine
CID 1246367
Cambridge id 7102043
CID 1332056
(4,5-dibromo-2-thienyl){4-[(E)-3-phenyl-2-propenyl]piperazino}methanone
CID 5873782
N-[(2-bromophenyl)methyl]-2-thiophenecarboxamide
CID 1246750
(3-Phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43062602
2-bromo-5-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridin-4-one
CID 84049272
3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 51121760
Thiomorpholin-4-yl-(4-thiophen-2-ylthiophen-2-yl)methanone
CID 71690079
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-thiophen-2-ylmethanone
CID 2806362

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone (CID 71807072) is (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is O=C(c1cc(Br)cs1)N1CCC(c2ccsc2)CC1.
What is the InChIKey of (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
The InChIKey is SWSWVROGFGATFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS2/c15-12-7-13(19-9-12)14(17)16-4-1-10(2-5-16)11-3-6-18-8-11/h3,6-10H,1-2,4-5H2.
What are the key properties of (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone?
(4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone has a molecular weight of 356.31 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(4-thiophen-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71807072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).