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

C13H16BrF3N2OS — CID 97079047

IUPAC(3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)s1)[C@@H]1CCCN(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)/t9-/m1/s1
InChIKeyASEDFJWQWYPEKH-SECBINFHSA-N
MW385.25 g/mol
LogP3.40
Rot. Bonds4

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

(3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97079047) has the molecular formula C13H16BrF3N2OS and a molecular weight of 385.25 g/mol. Its IUPAC name is (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97079047
Molecular FormulaC13H16BrF3N2OS
Molecular Weight385.25 g/mol
Exact Mass384.01
IUPAC Name(3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccc(Br)s1)[C@@H]1CCCN(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)/t9-/m1/s1
InChIKeyASEDFJWQWYPEKH-SECBINFHSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97079047) is (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCc1ccc(Br)s1)[C@@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ASEDFJWQWYPEKH-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-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 (3R)-N-[(5-bromothiophen-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97079047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).