5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide

C11H15BrN2OS — CID 43602032

IUPAC5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)C1CCNCC1
InChIInChI=1S/C11H15BrN2OS/c1-14(8-4-6-13-7-5-8)11(15)9-2-3-10(12)16-9/h2-3,8,13H,4-7H2,1H3
InChIKeyKQNBVFDCXGOXMD-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.33
Rot. Bonds2

About 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide

5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 43602032) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
PubChem CID43602032
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)C1CCNCC1
InChIInChI=1S/C11H15BrN2OS/c1-14(8-4-6-13-7-5-8)11(15)9-2-3-10(12)16-9/h2-3,8,13H,4-7H2,1H3
InChIKeyKQNBVFDCXGOXMD-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 60636372
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462
5-(4-bromophenyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119442269
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60725126
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104974562
N-(azepan-4-yl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 104974496
5-(4-bromophenyl)-N-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119551500
5-(benzenesulfonyl)-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119441510
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
CID 119441884

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide (CID 43602032) is 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide is CN(C(=O)c1ccc(Br)s1)C1CCNCC1.
What is the InChIKey of 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is KQNBVFDCXGOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-14(8-4-6-13-7-5-8)11(15)9-2-3-10(12)16-9/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 43602032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).