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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Related Compounds

Centpropazine
CID 118176
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 974127
1-{3-Fluoro-4-[4-(2-furoyl)-1-piperazinyl]phenyl}ethanone
CID 975414
1-{3-Fluoro-4-[4-(2-furoyl)-3-methyl-1-piperazinyl]phenyl}ethanone
CID 2938357
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]propanamide
CID 2987266
1-(4-Benzhydrylpiperazin-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 2998242
1-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]-3-(furan-2-ylmethoxy)propan-2-ol;oxalic acid
CID 15945140
4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)acetophenone
CID 46161
Acetophenone, 3'-((2-hydroxy-3-(p-tolylpiperazinyl))propoxy)-
CID 46164
2-Propen-1-one, 1-(4-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-3-(4-methoxyphenyl)-
CID 6445484
4-[[2-[4-(Furan-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 3406360
1-(4-(2-Hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)phenyl)ethanone
CID 11176112

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).