[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone

C21H20N2O3 — CID 44585671

IUPAC[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(Oc3ccccc3)cc2)o1)N1CCNCC1
InChIInChI=1S/C21H20N2O3/c24-21(23-14-12-22-13-15-23)20-11-10-19(26-20)16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-11,22H,12-15H2
InChIKeyWPUFVISDBKGRKP-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds4

About [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone

[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone (PubChem CID 44585671) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
PubChem CID44585671
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(Oc3ccccc3)cc2)o1)N1CCNCC1
InChIInChI=1S/C21H20N2O3/c24-21(23-14-12-22-13-15-23)20-11-10-19(26-20)16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-11,22H,12-15H2
InChIKeyWPUFVISDBKGRKP-UHFFFAOYSA-N
XLogP3.78
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
CID 44585644
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
1,4-diazepan-1-yl-(4-phenoxyphenyl)methanone;hydrochloride
CID 119414642
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
(4-benzylpiperazin-4-ium-1-yl)-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 9071291
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640

Frequently Asked Questions

What is the IUPAC name of [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone (CID 44585671) is [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccc(Oc3ccccc3)cc2)o1)N1CCNCC1.
What is the InChIKey of [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone?
The InChIKey is WPUFVISDBKGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-21(23-14-12-22-13-15-23)20-11-10-19(26-20)16-6-8-18(9-7-16)25-17-4-2-1-3-5-17/h1-11,22H,12-15H2.
What are the key properties of [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone?
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone has a molecular weight of 348.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 44585671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).