(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone

C11H14Br2N2OS — CID 119562967

IUPAC(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H14Br2N2OS/c1-14-7-2-4-15(5-3-7)11(16)8-6-9(12)17-10(8)13/h6-7,14H,2-5H2,1H3
InChIKeyBQCFVLOCMHPGAQ-UHFFFAOYSA-N
MW382.12 g/mol
LogP3.10
Rot. Bonds2

About (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone

(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119562967) has the molecular formula C11H14Br2N2OS and a molecular weight of 382.12 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119562967
Molecular FormulaC11H14Br2N2OS
Molecular Weight382.12 g/mol
Exact Mass379.92
IUPAC Name(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H14Br2N2OS/c1-14-7-2-4-15(5-3-7)11(16)8-6-9(12)17-10(8)13/h6-7,14H,2-5H2,1H3
InChIKeyBQCFVLOCMHPGAQ-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromothiophen-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492230
(2,5-dibromothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113265618
(2,5-dibromothiophen-3-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 103878368
(2,5-dibromothiophen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103745564
1-(2,5-dibromothiophene-3-carbonyl)piperidine-4-carbothioamide
CID 114021251
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 113237342
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
1-(2,5-dibromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 113354342
3-[1-(2,5-dibromothiophene-3-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 107949209
(2,5-dibromothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806970

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119562967) is (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is BQCFVLOCMHPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS/c1-14-7-2-4-15(5-3-7)11(16)8-6-9(12)17-10(8)13/h6-7,14H,2-5H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 382.12 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119562967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).