(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone

C12H16BrNOS — CID 115871811

IUPAC(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2Br)CC1C
InChIInChI=1S/C12H16BrNOS/c1-8-3-5-14(7-9(8)2)12(15)11-10(13)4-6-16-11/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyLXQNPTFURPELHZ-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.63
Rot. Bonds1

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

(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone (PubChem CID 115871811) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
PubChem CID115871811
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2sccc2Br)CC1C
InChIInChI=1S/C12H16BrNOS/c1-8-3-5-14(7-9(8)2)12(15)11-10(13)4-6-16-11/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyLXQNPTFURPELHZ-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
1-(3-bromothiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63804287
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 55211850
(3-bromothiophen-2-yl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801052
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
(3-bromothiophen-2-yl)-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787597
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone (CID 115871811) is (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2sccc2Br)CC1C.
What is the InChIKey of (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is LXQNPTFURPELHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8-3-5-14(7-9(8)2)12(15)11-10(13)4-6-16-11/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone?
(3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 302.24 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 115871811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).