N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide

C14H17F3N4OS — CID 24683868

IUPACN-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N4OS/c15-14(16,17)10-21-6-4-20(5-7-21)3-1-12(22)19-13-11(9-18)2-8-23-13/h2,8H,1,3-7,10H2,(H,19,22)
InChIKeyVLLZARXEBLFLJD-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.13
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (PubChem CID 24683868) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
PubChem CID24683868
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccsc1NC(=O)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H17F3N4OS/c15-14(16,17)10-21-6-4-20(5-7-21)3-1-12(22)19-13-11(9-18)2-8-23-13/h2,8H,1,3-7,10H2,(H,19,22)
InChIKeyVLLZARXEBLFLJD-UHFFFAOYSA-N
XLogP2.13
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide (CID 24683868) is N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is N#Cc1ccsc1NC(=O)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
The InChIKey is VLLZARXEBLFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4OS/c15-14(16,17)10-21-6-4-20(5-7-21)3-1-12(22)19-13-11(9-18)2-8-23-13/h2,8H,1,3-7,10H2,(H,19,22).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide has a molecular weight of 346.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 24683868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).