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

C12H15Br2NOS — CID 47097563

IUPAC(4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2NOS/c1-2-8-5-3-4-6-15(8)12(16)10-7-9(13)11(14)17-10/h7-8H,2-6H2,1H3
InChIKeyRONYUVPJZIJKRF-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.68
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 47097563) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID47097563
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name(4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2NOS/c1-2-8-5-3-4-6-15(8)12(16)10-7-9(13)11(14)17-10/h7-8H,2-6H2,1H3
InChIKeyRONYUVPJZIJKRF-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-Bromo-5-ethyl-2-thienyl)carbonyl]-4-(methylsulfonyl)piperazine
CID 1247224
4-bromo-5-ethyl-N-(1-methyl-4-piperidinyl)-2-thiophenecarboxamide
CID 1247737
(4,5-Dibromothiophen-2-yl)-morpholin-4-ylmethanone
CID 24979897
5-bromo-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]thiophene-2-carboxamide
CID 90644696
(5-Bromothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6465696
(4-Bromo-5-ethylthiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6470358
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
1-[(5-Bromo-2-thienyl)carbonyl]pyrrolidine
CID 1246561
(4,5-Dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161803
4-bromo-5-ethyl-N-methylthiophene-2-carboxamide
CID 1245565
(5-Bromothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1245667
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 47097563) is (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is RONYUVPJZIJKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c1-2-8-5-3-4-6-15(8)12(16)10-7-9(13)11(14)17-10/h7-8H,2-6H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 381.13 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 47097563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).