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

C12H17BrN2OS — CID 115304624

IUPAC(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-12(14-2)5-7-15(8-6-12)11(16)9-3-4-10(13)17-9/h3-4,14H,5-8H2,1-2H3
InChIKeyZHQLRPNZTXBGDC-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.72
Rot. Bonds2

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

(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304624) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304624
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-12(14-2)5-7-15(8-6-12)11(16)9-3-4-10(13)17-9/h3-4,14H,5-8H2,1-2H3
InChIKeyZHQLRPNZTXBGDC-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
(5-bromothiophen-2-yl)-(3-hydroxy-4,4-dimethylpiperidin-1-yl)methanone
CID 115276716
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375
8-(5-bromothiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017586
(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 131160226
(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304268
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
methyl 2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]acetate
CID 61075431
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279010
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443
(5-bromothiophen-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778193
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 106839488

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304624) is (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is ZHQLRPNZTXBGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-12(14-2)5-7-15(8-6-12)11(16)9-3-4-10(13)17-9/h3-4,14H,5-8H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 317.25 g/mol, XLogP of 2.72, 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-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).