1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone

C20H26N2O4 — CID 5013372

IUPAC1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(O)COCc3ccco3)CC2)cc1
InChIInChI=1S/C20H26N2O4/c1-16(23)17-4-6-18(7-5-17)22-10-8-21(9-11-22)13-19(24)14-25-15-20-3-2-12-26-20/h2-7,12,19,24H,8-11,13-15H2,1H3
InChIKeyIHNUULJQWQCEBL-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.18
Rot. Bonds8

About 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 5013372) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone
PubChem CID5013372
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(O)COCc3ccco3)CC2)cc1
InChIInChI=1S/C20H26N2O4/c1-16(23)17-4-6-18(7-5-17)22-10-8-21(9-11-22)13-19(24)14-25-15-20-3-2-12-26-20/h2-7,12,19,24H,8-11,13-15H2,1H3
InChIKeyIHNUULJQWQCEBL-UHFFFAOYSA-N
XLogP2.18
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone (CID 5013372) is 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(CC(O)COCc3ccco3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is IHNUULJQWQCEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-16(23)17-4-6-18(7-5-17)22-10-8-21(9-11-22)13-19(24)14-25-15-20-3-2-12-26-20/h2-7,12,19,24H,8-11,13-15H2,1H3.
What are the key properties of 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 358.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 5013372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).