furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C19H24N2O5 — CID 1122311

IUPACfuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)c(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-23-15-7-6-14(17(24-2)18(15)25-3)13-20-8-10-21(11-9-20)19(22)16-5-4-12-26-16/h4-7,12H,8-11,13H2,1-3H3
InChIKeyLHOUJFCDUDGDQI-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.26
Rot. Bonds6

About furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 1122311) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID1122311
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namefuran-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccco3)CC2)c(OC)c1OC
InChIInChI=1S/C19H24N2O5/c1-23-15-7-6-14(17(24-2)18(15)25-3)13-20-8-10-21(11-9-20)19(22)16-5-4-12-26-16/h4-7,12H,8-11,13H2,1-3H3
InChIKeyLHOUJFCDUDGDQI-UHFFFAOYSA-N
XLogP2.26
TPSA64.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 1122311) is furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCN(C(=O)c3ccco3)CC2)c(OC)c1OC.
What is the InChIKey of furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LHOUJFCDUDGDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-23-15-7-6-14(17(24-2)18(15)25-3)13-20-8-10-21(11-9-20)19(22)16-5-4-12-26-16/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1122311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).