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

C22H25F2N3O — CID 23147687

IUPACN-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCC(NC(=O)C1(N2CCNCC2)Cc2ccccc2C1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H25F2N3O/c1-15(18-10-19(23)12-20(24)11-18)26-21(28)22(27-8-6-25-7-9-27)13-16-4-2-3-5-17(16)14-22/h2-5,10-12,15,25H,6-9,13-14H2,1H3,(H,26,28)
InChIKeyZVQWAUAUAVUBCG-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.58
Rot. Bonds4

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

N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 23147687) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID23147687
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESCC(NC(=O)C1(N2CCNCC2)Cc2ccccc2C1)c1cc(F)cc(F)c1
InChIInChI=1S/C22H25F2N3O/c1-15(18-10-19(23)12-20(24)11-18)26-21(28)22(27-8-6-25-7-9-27)13-16-4-2-3-5-17(16)14-22/h2-5,10-12,15,25H,6-9,13-14H2,1H3,(H,26,28)
InChIKeyZVQWAUAUAVUBCG-UHFFFAOYSA-N
XLogP2.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (CID 23147687) is N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is CC(NC(=O)C1(N2CCNCC2)Cc2ccccc2C1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is ZVQWAUAUAVUBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-15(18-10-19(23)12-20(24)11-18)26-21(28)22(27-8-6-25-7-9-27)13-16-4-2-3-5-17(16)14-22/h2-5,10-12,15,25H,6-9,13-14H2,1H3,(H,26,28).
What are the key properties of N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)ethyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 23147687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).