furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone

C24H26N2O4 — CID 1148134

IUPACfuran-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
InChIKeyRHJSBZCOJFKXNB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.83
Rot. Bonds7

About furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1148134) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1148134
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namefuran-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3
InChIKeyRHJSBZCOJFKXNB-UHFFFAOYSA-N
XLogP3.83
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 1148134) is furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1OCc1ccccc1.
What is the InChIKey of furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is RHJSBZCOJFKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-21-10-9-20(16-23(21)30-18-19-6-3-2-4-7-19)17-25-11-13-26(14-12-25)24(27)22-8-5-15-29-22/h2-10,15-16H,11-14,17-18H2,1H3.
What are the key properties of furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 406.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1148134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).