[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone

C25H28N2O5 — CID 146076557

IUPAC[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(OCc2cc(C(=O)N3CCNC(c4cccc(OC)c4)C3)c(C)o2)cc1
InChIInChI=1S/C25H28N2O5/c1-17-23(14-22(32-17)16-31-20-9-7-19(29-2)8-10-20)25(28)27-12-11-26-24(15-27)18-5-4-6-21(13-18)30-3/h4-10,13-14,24,26H,11-12,15-16H2,1-3H3
InChIKeyCGFYCHWVFCRRRB-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.97
Rot. Bonds7

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

[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 146076557) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID146076557
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(OCc2cc(C(=O)N3CCNC(c4cccc(OC)c4)C3)c(C)o2)cc1
InChIInChI=1S/C25H28N2O5/c1-17-23(14-22(32-17)16-31-20-9-7-19(29-2)8-10-20)25(28)27-12-11-26-24(15-27)18-5-4-6-21(13-18)30-3/h4-10,13-14,24,26H,11-12,15-16H2,1-3H3
InChIKeyCGFYCHWVFCRRRB-UHFFFAOYSA-N
XLogP3.97
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 167926537
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 167745798
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95217264
1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
CID 129211895
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302
(2-iodo-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119576725
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
[5-(methoxymethyl)-2-methylfuran-3-yl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926875
[5-(methoxymethyl)-2-methylfuran-3-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004398

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 146076557) is [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(OCc2cc(C(=O)N3CCNC(c4cccc(OC)c4)C3)c(C)o2)cc1.
What is the InChIKey of [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is CGFYCHWVFCRRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-17-23(14-22(32-17)16-31-20-9-7-19(29-2)8-10-20)25(28)27-12-11-26-24(15-27)18-5-4-6-21(13-18)30-3/h4-10,13-14,24,26H,11-12,15-16H2,1-3H3.
What are the key properties of [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone?
[5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 436.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenoxy)methyl]-2-methylfuran-3-yl]-[3-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146076557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).