2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide

C12H16Br2N2OS — CID 114021512

IUPAC2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H16Br2N2OS/c1-16(7-8-2-4-15-5-3-8)12(17)9-6-10(13)18-11(9)14/h6,8,15H,2-5,7H2,1H3
InChIKeyBDANALTVXZPZKY-UHFFFAOYSA-N
MW396.15 g/mol
LogP3.34
Rot. Bonds3

About 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide

2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide (PubChem CID 114021512) has the molecular formula C12H16Br2N2OS and a molecular weight of 396.15 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
PubChem CID114021512
Molecular FormulaC12H16Br2N2OS
Molecular Weight396.15 g/mol
Exact Mass393.94
IUPAC Name2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C12H16Br2N2OS/c1-16(7-8-2-4-15-5-3-8)12(17)9-6-10(13)18-11(9)14/h6,8,15H,2-5,7H2,1H3
InChIKeyBDANALTVXZPZKY-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-methyl-N-(morpholin-2-ylmethyl)thiophene-3-carboxamide
CID 107963714
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
2,5-dimethoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79700189
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79721407
2-bromo-6-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 114560252
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide (CID 114021512) is 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide is CN(CC1CCNCC1)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
The InChIKey is BDANALTVXZPZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2OS/c1-16(7-8-2-4-15-5-3-8)12(17)9-6-10(13)18-11(9)14/h6,8,15H,2-5,7H2,1H3.
What are the key properties of 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide?
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide has a molecular weight of 396.15 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 114021512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).