4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide

C13H18Br2N2OS — CID 78929380

IUPAC4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C13H18Br2N2OS/c1-16-5-3-9(4-6-16)8-17(2)13(18)11-7-10(14)12(15)19-11/h7,9H,3-6,8H2,1-2H3
InChIKeyUKPWSJZGULLKPL-UHFFFAOYSA-N
MW410.18 g/mol
LogP3.69
Rot. Bonds3

About 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 78929380) has the molecular formula C13H18Br2N2OS and a molecular weight of 410.18 g/mol. Its IUPAC name is 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
PubChem CID78929380
Molecular FormulaC13H18Br2N2OS
Molecular Weight410.18 g/mol
Exact Mass407.95
IUPAC Name4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
SMILESCN1CCC(CN(C)C(=O)c2cc(Br)c(Br)s2)CC1
InChIInChI=1S/C13H18Br2N2OS/c1-16-5-3-9(4-6-16)8-17(2)13(18)11-7-10(14)12(15)19-11/h7,9H,3-6,8H2,1-2H3
InChIKeyUKPWSJZGULLKPL-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.18
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
(4,5-dibromothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 78968328
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366
4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80536544
5-bromo-2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 63236918
4-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63236434
4-amino-3,5-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 82813179
4-isocyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 123896887
4,5-dibromo-N-(2-cyanoethyl)-N-methylthiophene-2-carboxamide
CID 78909595
1-(2,5-dibromothiophen-3-yl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 63273674

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide (CID 78929380) is 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide is CN1CCC(CN(C)C(=O)c2cc(Br)c(Br)s2)CC1.
What is the InChIKey of 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is UKPWSJZGULLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2OS/c1-16-5-3-9(4-6-16)8-17(2)13(18)11-7-10(14)12(15)19-11/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 410.18 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 78929380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).