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

C17H21F3N4OS — CID 24683967

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESN#Cc1c(NC(=O)CCN2CCN(CC(F)(F)F)CC2)sc2c1CCC2
InChIInChI=1S/C17H21F3N4OS/c18-17(19,20)11-24-8-6-23(7-9-24)5-4-15(25)22-16-13(10-21)12-2-1-3-14(12)26-16/h1-9,11H2,(H,22,25)
InChIKeyVWLNXMHAVNNQEZ-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.62
Rot. Bonds5

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (PubChem CID 24683967) has the molecular formula C17H21F3N4OS and a molecular weight of 386.44 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
PubChem CID24683967
Molecular FormulaC17H21F3N4OS
Molecular Weight386.44 g/mol
Exact Mass386.14
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESN#Cc1c(NC(=O)CCN2CCN(CC(F)(F)F)CC2)sc2c1CCC2
InChIInChI=1S/C17H21F3N4OS/c18-17(19,20)11-24-8-6-23(7-9-24)5-4-15(25)22-16-13(10-21)12-2-1-3-14(12)26-16/h1-9,11H2,(H,22,25)
InChIKeyVWLNXMHAVNNQEZ-UHFFFAOYSA-N
XLogP2.62
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (CID 24683967) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is N#Cc1c(NC(=O)CCN2CCN(CC(F)(F)F)CC2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The InChIKey is VWLNXMHAVNNQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4OS/c18-17(19,20)11-24-8-6-23(7-9-24)5-4-15(25)22-16-13(10-21)12-2-1-3-14(12)26-16/h1-9,11H2,(H,22,25).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide has a molecular weight of 386.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 24683967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).