4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide

C13H16Br2N2OS — CID 112725100

IUPAC4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H16Br2N2OS/c14-10-7-11(19-12(10)15)13(18)16-8-3-5-17(6-4-8)9-1-2-9/h7-9H,1-6H2,(H,16,18)
InChIKeyJDPMNWKYDGKTDY-UHFFFAOYSA-N
MW408.16 g/mol
LogP3.63
Rot. Bonds3

About 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 112725100) has the molecular formula C13H16Br2N2OS and a molecular weight of 408.16 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID112725100
Molecular FormulaC13H16Br2N2OS
Molecular Weight408.16 g/mol
Exact Mass405.94
IUPAC Name4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H16Br2N2OS/c14-10-7-11(19-12(10)15)13(18)16-8-3-5-17(6-4-8)9-1-2-9/h7-9H,1-6H2,(H,16,18)
InChIKeyJDPMNWKYDGKTDY-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 112724292
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866520
4,5-dibromo-N-piperidin-3-ylthiophene-2-carboxamide
CID 80537940
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
CID 104578402
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26905641
4,5-dibromo-N-(2,3-dimethylcyclopentyl)thiophene-2-carboxamide
CID 80536433
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide (CID 112725100) is 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide is O=C(NC1CCN(C2CC2)CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is JDPMNWKYDGKTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2OS/c14-10-7-11(19-12(10)15)13(18)16-8-3-5-17(6-4-8)9-1-2-9/h7-9H,1-6H2,(H,16,18).
What are the key properties of 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 408.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112725100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).