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

C11H16BrClN2OS — CID 119562122

IUPAC(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2sccc2Br)CC1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/c1-13-8-2-5-14(6-3-8)11(15)10-9(12)4-7-16-10;/h4,7-8,13H,2-3,5-6H2,1H3;1H
InChIKeyBIZVYDONXDOEQR-UHFFFAOYSA-N
MW339.69 g/mol
LogP2.76
Rot. Bonds2

About (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119562122) has the molecular formula C11H16BrClN2OS and a molecular weight of 339.69 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119562122
Molecular FormulaC11H16BrClN2OS
Molecular Weight339.69 g/mol
Exact Mass337.99
IUPAC Name(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2sccc2Br)CC1.Cl
InChIInChI=1S/C11H15BrN2OS.ClH/c1-13-8-2-5-14(6-3-8)11(15)10-9(12)4-7-16-10;/h4,7-8,13H,2-3,5-6H2,1H3;1H
InChIKeyBIZVYDONXDOEQR-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

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
N-[[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 113223577
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871811
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
[4-(2-bromoethoxy)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 82701558

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119562122) is (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2sccc2Br)CC1.Cl.
What is the InChIKey of (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is BIZVYDONXDOEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS.ClH/c1-13-8-2-5-14(6-3-8)11(15)10-9(12)4-7-16-10;/h4,7-8,13H,2-3,5-6H2,1H3;1H.
What are the key properties of (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(3-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 (3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119562122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).