methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate

C24H24F2N2O3 — CID 24626996

IUPACmethyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24F2N2O3/c1-30-24(29)21-10-15-31-22(21)16-27-11-13-28(14-12-27)23(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-10,15,23H,11-14,16H2,1H3
InChIKeyQJLTWLVLHOZYHX-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.25
Rot. Bonds6

About methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate

methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate (PubChem CID 24626996) has the molecular formula C24H24F2N2O3 and a molecular weight of 426.46 g/mol. Its IUPAC name is methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate
PubChem CID24626996
Molecular FormulaC24H24F2N2O3
Molecular Weight426.46 g/mol
Exact Mass426.18
IUPAC Namemethyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24F2N2O3/c1-30-24(29)21-10-15-31-22(21)16-27-11-13-28(14-12-27)23(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-10,15,23H,11-14,16H2,1H3
InChIKeyQJLTWLVLHOZYHX-UHFFFAOYSA-N
XLogP4.25
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
2-[(4-propan-2-ylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 43585427
methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzoate
CID 24550836
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-methylpyran-4-one
CID 71704296
methyl 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151747
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 36851040
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 36850979

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate (CID 24626996) is methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is QJLTWLVLHOZYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3/c1-30-24(29)21-10-15-31-22(21)16-27-11-13-28(14-12-27)23(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-10,15,23H,11-14,16H2,1H3.
What are the key properties of methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate?
methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 426.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 24626996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).