5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C12H17BrN2OS — CID 60636372

IUPAC5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-14-7-5-9(6-8-14)15(2)12(16)10-3-4-11(13)17-10/h3-4,9H,5-8H2,1-2H3
InChIKeyVEYCEFHFRLCSET-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.68
Rot. Bonds2

About 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 60636372) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID60636372
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C12H17BrN2OS/c1-14-7-5-9(6-8-14)15(2)12(16)10-3-4-11(13)17-10/h3-4,9H,5-8H2,1-2H3
InChIKeyVEYCEFHFRLCSET-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60725126
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
5-bromo-N-[2-[[(3R,4S)-1,3-dimethylpiperidin-4-yl]-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 96508441
3,5-dibromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 113349444
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
methyl 5-[cyclopropyl(methyl)carbamoyl]thiophene-2-carboxylate
CID 75417382
5-bromo-2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24690461
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
2-(4-bromobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112811335
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 60636354
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 60636372) is 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CN1CCC(N(C)C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is VEYCEFHFRLCSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-14-7-5-9(6-8-14)15(2)12(16)10-3-4-11(13)17-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 60636372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).