N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C19H21F2N3O — CID 719590

IUPACN-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O/c20-15-5-7-16(8-6-15)22-19(25)9-10-23-11-13-24(14-12-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyPTEXXNGSYDXXIJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.12
Rot. Bonds5

About N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 719590) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID719590
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21F2N3O/c20-15-5-7-16(8-6-15)22-19(25)9-10-23-11-13-24(14-12-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25)
InChIKeyPTEXXNGSYDXXIJ-UHFFFAOYSA-N
XLogP3.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 719590) is N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(c2ccccc2F)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is PTEXXNGSYDXXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-15-5-7-16(8-6-15)22-19(25)9-10-23-11-13-24(14-12-23)18-4-2-1-3-17(18)21/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 345.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 719590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).