1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine

C24H24N2O3 — CID 86051368

IUPAC1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccc3)CC2)c2cc(-c3ccco3)oc12
InChIInChI=1S/C24H24N2O3/c1-27-22-10-9-18(20-16-23(29-24(20)22)21-8-5-15-28-21)17-25-11-13-26(14-12-25)19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyAMRMEAQHFDVQON-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.02
Rot. Bonds5

About 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine

1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine (PubChem CID 86051368) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine
PubChem CID86051368
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccc3)CC2)c2cc(-c3ccco3)oc12
InChIInChI=1S/C24H24N2O3/c1-27-22-10-9-18(20-16-23(29-24(20)22)21-8-5-15-28-21)17-25-11-13-26(14-12-25)19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyAMRMEAQHFDVQON-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 16725934
1-(furan-2-ylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 771936
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
6,7-dimethoxy-2-[(2-phenyl-7-propoxy-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 11396957
2-[[2-(3-fluorophenyl)-7-methoxy-1-benzofuran-4-yl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11259407
1-[4-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1378287
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
2,3-dimethoxy-5-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 82183738
6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928620
6,7-dimethoxy-2-[[7-methoxy-2-[4-(trifluoromethyl)phenyl]-1-benzofuran-4-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11477503
1-[(4-methoxynaphthalen-1-yl)methyl]-4-propylpiperazine
CID 143922836

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine (CID 86051368) is 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine is COc1ccc(CN2CCN(c3ccccc3)CC2)c2cc(-c3ccco3)oc12.
What is the InChIKey of 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine?
The InChIKey is AMRMEAQHFDVQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-27-22-10-9-18(20-16-23(29-24(20)22)21-8-5-15-28-21)17-25-11-13-26(14-12-25)19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine?
1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine has a molecular weight of 388.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-7-methoxy-1-benzofuran-4-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 86051368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).