N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C17H20F3N3OS — CID 24589036

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESN#Cc1c(NC(=O)CCN2CCCC(C(F)(F)F)C2)sc2c1CCC2
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)11-3-2-7-23(10-11)8-6-15(24)22-16-13(9-21)12-4-1-5-14(12)25-16/h11H,1-8,10H2,(H,22,24)
InChIKeyLETFFGGCOVXBPF-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.71
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 24589036) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID24589036
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESN#Cc1c(NC(=O)CCN2CCCC(C(F)(F)F)C2)sc2c1CCC2
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)11-3-2-7-23(10-11)8-6-15(24)22-16-13(9-21)12-4-1-5-14(12)25-16/h11H,1-8,10H2,(H,22,24)
InChIKeyLETFFGGCOVXBPF-UHFFFAOYSA-N
XLogP3.71
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 24589036) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide is N#Cc1c(NC(=O)CCN2CCCC(C(F)(F)F)C2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is LETFFGGCOVXBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c18-17(19,20)11-3-2-7-23(10-11)8-6-15(24)22-16-13(9-21)12-4-1-5-14(12)25-16/h11H,1-8,10H2,(H,22,24).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 371.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 24589036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).