[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C23H26N2O5 — CID 19572443

IUPAC[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCN(Cc4ccco4)CC3)o2)cc1
InChIInChI=1S/C23H26N2O5/c1-2-27-18-5-7-19(8-6-18)29-17-21-9-10-22(30-21)23(26)25-13-11-24(12-14-25)16-20-4-3-15-28-20/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyUAPCFOGZGSEXIS-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.81
Rot. Bonds8

About [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 19572443) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID19572443
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCN(Cc4ccco4)CC3)o2)cc1
InChIInChI=1S/C23H26N2O5/c1-2-27-18-5-7-19(8-6-18)29-17-21-9-10-22(30-21)23(26)25-13-11-24(12-14-25)16-20-4-3-15-28-20/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyUAPCFOGZGSEXIS-UHFFFAOYSA-N
XLogP3.81
TPSA68.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-[(4-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19572433
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
2-(4-ethoxyphenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249513
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]methanone
CID 19292919
[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19572459
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-[(2-nitrophenoxy)methyl]furan-2-yl]methanone
CID 19572409
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333950
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456
1-[4-[[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19325489
5-[(4-ethoxyphenoxy)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 19413326
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294871

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 19572443) is [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is CCOc1ccc(OCc2ccc(C(=O)N3CCN(Cc4ccco4)CC3)o2)cc1.
What is the InChIKey of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UAPCFOGZGSEXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-27-18-5-7-19(8-6-18)29-17-21-9-10-22(30-21)23(26)25-13-11-24(12-14-25)16-20-4-3-15-28-20/h3-10,15H,2,11-14,16-17H2,1H3.
What are the key properties of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 410.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19572443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).