[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C21H27N3O2 — CID 120997190

IUPAC[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCCc1ccc(-c2ccc(C(=O)N3CCC(N4CCNCC4)C3)o2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-16-3-5-17(6-4-16)19-7-8-20(26-19)21(25)24-12-9-18(15-24)23-13-10-22-11-14-23/h3-8,18,22H,2,9-15H2,1H3
InChIKeyWLCOEVLHNOFODK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.63
Rot. Bonds4

About [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997190) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997190
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESCCc1ccc(-c2ccc(C(=O)N3CCC(N4CCNCC4)C3)o2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-16-3-5-17(6-4-16)19-7-8-20(26-19)21(25)24-12-9-18(15-24)23-13-10-22-11-14-23/h3-8,18,22H,2,9-15H2,1H3
InChIKeyWLCOEVLHNOFODK-UHFFFAOYSA-N
XLogP2.63
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)furan-2-carboxylate
CID 120996909
[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 56721031
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997698
[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
(5-methyl-1-benzofuran-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997472
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
5-(4-ethylphenyl)-N-piperidin-4-ylfuran-2-carboxamide
CID 119388707
4-[5-(4-ethylphenyl)furan-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 124607399
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997190) is [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is CCc1ccc(-c2ccc(C(=O)N3CCC(N4CCNCC4)C3)o2)cc1.
What is the InChIKey of [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is WLCOEVLHNOFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-16-3-5-17(6-4-16)19-7-8-20(26-19)21(25)24-12-9-18(15-24)23-13-10-22-11-14-23/h3-8,18,22H,2,9-15H2,1H3.
What are the key properties of [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).