3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one

C14H19F3N2OS — CID 75441549

IUPAC3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(Cc1ccsc1)NC1CCCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-10(7-11-4-6-21-8-11)18-12-3-2-5-19(13(12)20)9-14(15,16)17/h4,6,8,10,12,18H,2-3,5,7,9H2,1H3
InChIKeyJEKPTOXJFDXNAS-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.82
Rot. Bonds5

About 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one

3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one (PubChem CID 75441549) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
PubChem CID75441549
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one
SMILESCC(Cc1ccsc1)NC1CCCN(CC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2OS/c1-10(7-11-4-6-21-8-11)18-12-3-2-5-19(13(12)20)9-14(15,16)17/h4,6,8,10,12,18H,2-3,5,7,9H2,1H3
InChIKeyJEKPTOXJFDXNAS-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one 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 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The IUPAC name of 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one (CID 75441549) is 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one.
What is the SMILES notation for 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The canonical SMILES for 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one is CC(Cc1ccsc1)NC1CCCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one?
The InChIKey is JEKPTOXJFDXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c1-10(7-11-4-6-21-8-11)18-12-3-2-5-19(13(12)20)9-14(15,16)17/h4,6,8,10,12,18H,2-3,5,7,9H2,1H3.
What are the key properties of 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one?
3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one has a molecular weight of 320.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylpropan-2-ylamino)-1-(2,2,2-trifluoroethyl)piperidin-2-one is sourced from PubChem (CID 75441549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).