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

C11H14Br2N2OS — CID 80537490

IUPAC4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCN1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-6-7-3-1-2-4-14-7/h5,7,14H,1-4,6H2,(H,15,16)
InChIKeyNXKFPWBPTLXSLA-UHFFFAOYSA-N
MW382.12 g/mol
LogP3.14
Rot. Bonds3

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

4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 80537490) has the molecular formula C11H14Br2N2OS and a molecular weight of 382.12 g/mol. Its IUPAC name is 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID80537490
Molecular FormulaC11H14Br2N2OS
Molecular Weight382.12 g/mol
Exact Mass379.92
IUPAC Name4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCCN1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H14Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-6-7-3-1-2-4-14-7/h5,7,14H,1-4,6H2,(H,15,16)
InChIKeyNXKFPWBPTLXSLA-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.12
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
4,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 64929121
4,5-dibromo-N-[[2-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 113276196
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
CID 107990193
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136
4-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119511984
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide (CID 80537490) is 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCCN1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NXKFPWBPTLXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2OS/c12-8-5-9(17-10(8)13)11(16)15-6-7-3-1-2-4-14-7/h5,7,14H,1-4,6H2,(H,15,16).
What are the key properties of 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 382.12 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 80537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).