N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H16BrF3N2OS — CID 71937744

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)s1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C13H16BrF3N2OS/c14-11-4-3-10(21-11)6-18-12(20)9-2-1-5-19(7-9)8-13(15,16)17/h3-4,9H,1-2,5-8H2,(H,18,20)
InChIKeyASEDFJWQWYPEKH-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.40
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71937744) has the molecular formula C13H16BrF3N2OS and a molecular weight of 385.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71937744
Molecular FormulaC13H16BrF3N2OS
Molecular Weight385.25 g/mol
Exact Mass384.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)s1)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C13H16BrF3N2OS/c14-11-4-3-10(21-11)6-18-12(20)9-2-1-5-19(7-9)8-13(15,16)17/h3-4,9H,1-2,5-8H2,(H,18,20)
InChIKeyASEDFJWQWYPEKH-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71937744) is N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCc1ccc(Br)s1)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ASEDFJWQWYPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2OS/c14-11-4-3-10(21-11)6-18-12(20)9-2-1-5-19(7-9)8-13(15,16)17/h3-4,9H,1-2,5-8H2,(H,18,20).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 385.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71937744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).