N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide

C26H27F2N3O — CID 23931783

IUPACN-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H27F2N3O/c1-19(32)29-25-12-2-20(3-13-25)18-30-14-16-31(17-15-30)26(21-4-8-23(27)9-5-21)22-6-10-24(28)11-7-22/h2-13,26H,14-18H2,1H3,(H,29,32)
InChIKeySXXSLMQONKKAHX-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.83
Rot. Bonds6

About N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 23931783) has the molecular formula C26H27F2N3O and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID23931783
Molecular FormulaC26H27F2N3O
Molecular Weight435.52 g/mol
Exact Mass435.21
IUPAC NameN-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H27F2N3O/c1-19(32)29-25-12-2-20(3-13-25)18-30-14-16-31(17-15-30)26(21-4-8-23(27)9-5-21)22-6-10-24(28)11-7-22/h2-13,26H,14-18H2,1H3,(H,29,32)
InChIKeySXXSLMQONKKAHX-UHFFFAOYSA-N
XLogP4.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide (CID 23931783) is N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is SXXSLMQONKKAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O/c1-19(32)29-25-12-2-20(3-13-25)18-30-14-16-31(17-15-30)26(21-4-8-23(27)9-5-21)22-6-10-24(28)11-7-22/h2-13,26H,14-18H2,1H3,(H,29,32).
What are the key properties of N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 23931783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).