N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide

C16H23N3O4 — CID 108941800

IUPACN-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
SMILESCCC(C)NC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H23N3O4/c1-3-12(2)17-14(20)11-15(21)18-6-8-19(9-7-18)16(22)13-5-4-10-23-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyZKOZXWQZRUAPRI-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.87
Rot. Bonds5

About N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide

N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108941800) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108941800
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
SMILESCCC(C)NC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H23N3O4/c1-3-12(2)17-14(20)11-15(21)18-6-8-19(9-7-18)16(22)13-5-4-10-23-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyZKOZXWQZRUAPRI-UHFFFAOYSA-N
XLogP0.87
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
CID 108950784
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108950830
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
2-(2,6-diethylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004649
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698
N-(2-tert-butylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108950812

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide (CID 108941800) is N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide is CCC(C)NC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is ZKOZXWQZRUAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-12(2)17-14(20)11-15(21)18-6-8-19(9-7-18)16(22)13-5-4-10-23-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide?
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 321.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108941800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).