(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C11H16BrClN2OS — CID 119563118

IUPAC(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Br)s2)CC1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/c1-13-8-4-6-14(7-5-8)11(15)9-2-3-10(12)16-9;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyWIGFSMQOBBWFGH-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.76
Rot. Bonds2

About (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119563118) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119563118
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC Name(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Br)s2)CC1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/c1-13-8-4-6-14(7-5-8)11(15)9-2-3-10(12)16-9;/h2-3,8,13H,4-7H2,1H3;1H
InChIKeyWIGFSMQOBBWFGH-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
CID 55972015
[4-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone;hydrochloride
CID 119520055
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
(2,5-dibromothiophen-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562967
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
[4-(methylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 119563984
(5-bromothiophen-2-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776103
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119563118) is (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(Br)s2)CC1.Cl.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WIGFSMQOBBWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c1-13-8-4-6-14(7-5-8)11(15)9-2-3-10(12)16-9;/h2-3,8,13H,4-7H2,1H3;1H.
What are the key properties of (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 339.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119563118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).