1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone

C26H28N2O5 — CID 19323198

IUPAC1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccc(COc4ccc(C(C)=O)cc4)o3)CC2)c1
InChIInChI=1S/C26H28N2O5/c1-19(29)21-6-8-22(9-7-21)32-18-24-10-11-25(33-24)26(30)28-14-12-27(13-15-28)17-20-4-3-5-23(16-20)31-2/h3-11,16H,12-15,17-18H2,1-2H3
InChIKeyLNHGNVFNFIALCQ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.03
Rot. Bonds8

About 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone

1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone (PubChem CID 19323198) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
PubChem CID19323198
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccc(COc4ccc(C(C)=O)cc4)o3)CC2)c1
InChIInChI=1S/C26H28N2O5/c1-19(29)21-6-8-22(9-7-21)32-18-24-10-11-25(33-24)26(30)28-14-12-27(13-15-28)17-20-4-3-5-23(16-20)31-2/h3-11,16H,12-15,17-18H2,1-2H3
InChIKeyLNHGNVFNFIALCQ-UHFFFAOYSA-N
XLogP4.03
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone with MolForge

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Related Compounds

1-[4-[[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19323623
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
1-[4-[[5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone
CID 19325489
[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
[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325593
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 19327324
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
[5-[(3-chlorophenoxy)methyl]furan-2-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297059
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[3-[(4-nitrophenoxy)methyl]phenyl]methanone
CID 19323206
[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323221

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone (CID 19323198) is 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone is COc1cccc(CN2CCN(C(=O)c3ccc(COc4ccc(C(C)=O)cc4)o3)CC2)c1.
What is the InChIKey of 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone?
The InChIKey is LNHGNVFNFIALCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-19(29)21-6-8-22(9-7-21)32-18-24-10-11-25(33-24)26(30)28-14-12-27(13-15-28)17-20-4-3-5-23(16-20)31-2/h3-11,16H,12-15,17-18H2,1-2H3.
What are the key properties of 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone?
1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone has a molecular weight of 448.52 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]furan-2-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 19323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).