3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C20H25N3O3 — CID 109030084

IUPAC3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCCN(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-2-21(17-7-4-3-5-8-17)11-10-19(24)22-12-14-23(15-13-22)20(25)18-9-6-16-26-18/h3-9,16H,2,10-15H2,1H3
InChIKeyMVGNVOWDJLMTHF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.48
Rot. Bonds6

About 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 109030084) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID109030084
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCCN(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-2-21(17-7-4-3-5-8-17)11-10-19(24)22-12-14-23(15-13-22)20(25)18-9-6-16-26-18/h3-9,16H,2,10-15H2,1H3
InChIKeyMVGNVOWDJLMTHF-UHFFFAOYSA-N
XLogP2.48
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(N-ethylanilino)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166874
1-(azepan-1-yl)-3-(N-ethylanilino)propan-1-one
CID 109033514
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114982
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523
N-[3-(dimethylamino)propyl]-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113117863
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methoxyphenyl)acetamide
CID 113129105
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 109030084) is 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is CCN(CCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1.
What is the InChIKey of 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is MVGNVOWDJLMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-21(17-7-4-3-5-8-17)11-10-19(24)22-12-14-23(15-13-22)20(25)18-9-6-16-26-18/h3-9,16H,2,10-15H2,1H3.
What are the key properties of 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109030084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).