N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide

C23H25FN4O — CID 90894930

IUPACN-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESN#Cc1cc(F)cc(CCNC(=O)C2(N3CCNCC3)Cc3ccccc3C2)c1
InChIInChI=1S/C23H25FN4O/c24-21-12-17(11-18(13-21)16-25)5-6-27-22(29)23(28-9-7-26-8-10-28)14-19-3-1-2-4-20(19)15-23/h1-4,11-13,26H,5-10,14-15H2,(H,27,29)
InChIKeyBVWKUPHCZFLGMP-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide

N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 90894930) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID90894930
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESN#Cc1cc(F)cc(CCNC(=O)C2(N3CCNCC3)Cc3ccccc3C2)c1
InChIInChI=1S/C23H25FN4O/c24-21-12-17(11-18(13-21)16-25)5-6-27-22(29)23(28-9-7-26-8-10-28)14-19-3-1-2-4-20(19)15-23/h1-4,11-13,26H,5-10,14-15H2,(H,27,29)
InChIKeyBVWKUPHCZFLGMP-UHFFFAOYSA-N
XLogP1.80
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (CID 90894930) is N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is N#Cc1cc(F)cc(CCNC(=O)C2(N3CCNCC3)Cc3ccccc3C2)c1.
What is the InChIKey of N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is BVWKUPHCZFLGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-21-12-17(11-18(13-21)16-25)5-6-27-22(29)23(28-9-7-26-8-10-28)14-19-3-1-2-4-20(19)15-23/h1-4,11-13,26H,5-10,14-15H2,(H,27,29).
What are the key properties of N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyano-5-fluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 90894930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).