2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide

C15H21N3O3 — CID 46744287

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H21N3O3/c1-3-6-16-14(19)12(2)17-7-9-18(10-8-17)15(20)13-5-4-11-21-13/h3-5,11-12H,1,6-10H2,2H3,(H,16,19)
InChIKeySJWFPXRWUZEOSL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.73
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 46744287) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
PubChem CID46744287
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H21N3O3/c1-3-6-16-14(19)12(2)17-7-9-18(10-8-17)15(20)13-5-4-11-21-13/h3-5,11-12H,1,6-10H2,2H3,(H,16,19)
InChIKeySJWFPXRWUZEOSL-UHFFFAOYSA-N
XLogP0.73
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34952537
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111166625
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
4-(furan-2-carbonyl)-N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylpiperazine-1-carboximidamide;hydroiodide
CID 136920644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide (CID 46744287) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is SJWFPXRWUZEOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-6-16-14(19)12(2)17-7-9-18(10-8-17)15(20)13-5-4-11-21-13/h3-5,11-12H,1,6-10H2,2H3,(H,16,19).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 46744287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).