[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone

C24H25FN2O4 — CID 19327324

IUPAC[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone
SMILESCOc1cccc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)o2)c1
InChIInChI=1S/C24H25FN2O4/c1-29-19-6-4-7-20(15-19)30-17-21-9-10-23(31-21)24(28)27-13-11-26(12-14-27)16-18-5-2-3-8-22(18)25/h2-10,15H,11-14,16-17H2,1H3
InChIKeySEIAKVNHXQXFBH-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.96
Rot. Bonds7

About [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone (PubChem CID 19327324) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone
PubChem CID19327324
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone
SMILESCOc1cccc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)o2)c1
InChIInChI=1S/C24H25FN2O4/c1-29-19-6-4-7-20(15-19)30-17-21-9-10-23(31-21)24(28)27-13-11-26(12-14-27)16-18-5-2-3-8-22(18)25/h2-10,15H,11-14,16-17H2,1H3
InChIKeySEIAKVNHXQXFBH-UHFFFAOYSA-N
XLogP3.96
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone with MolForge

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Related Compounds

[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325593
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 19291101
1-[4-[[5-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19327415
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]methanone
CID 19292919
1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19323198
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19292910
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 19294853
[5-[(3-chlorophenoxy)methyl]furan-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297059
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone (CID 19327324) is [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone is COc1cccc(OCc2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)o2)c1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is SEIAKVNHXQXFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-29-19-6-4-7-20(15-19)30-17-21-9-10-23(31-21)24(28)27-13-11-26(12-14-27)16-18-5-2-3-8-22(18)25/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone?
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 424.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 19327324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).