(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone

C12H15Br2NOS — CID 103878368

IUPAC(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Br)sc2Br)CC1C
InChIInChI=1S/C12H15Br2NOS/c1-7-3-4-15(6-8(7)2)12(16)9-5-10(13)17-11(9)14/h5,7-8H,3-4,6H2,1-2H3
InChIKeyAHYFKTZFJPQDNP-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.39
Rot. Bonds1

About (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone

(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 103878368) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID103878368
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Br)sc2Br)CC1C
InChIInChI=1S/C12H15Br2NOS/c1-7-3-4-15(6-8(7)2)12(16)9-5-10(13)17-11(9)14/h5,7-8H,3-4,6H2,1-2H3
InChIKeyAHYFKTZFJPQDNP-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103745564
(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107963765
(2,5-dibromothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806970
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562967
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
(2,5-dibromothiophen-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492230
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871773
1-(2,5-dibromothiophene-3-carbonyl)piperidine-4-carbothioamide
CID 114021251
[3-(aminomethyl)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone
CID 103805957
(2-amino-5-hydroxyphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 102739317

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone (CID 103878368) is (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Br)sc2Br)CC1C.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is AHYFKTZFJPQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c1-7-3-4-15(6-8(7)2)12(16)9-5-10(13)17-11(9)14/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 381.13 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103878368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).