3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide

C15H21N3O4 — CID 108940840

IUPAC3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H21N3O4/c1-11(2)16-13(19)10-14(20)17-5-7-18(8-6-17)15(21)12-4-3-9-22-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyOTAOKYIDNBVPSH-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.48
Rot. Bonds4

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

3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide (PubChem CID 108940840) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
PubChem CID108940840
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H21N3O4/c1-11(2)16-13(19)10-14(20)17-5-7-18(8-6-17)15(21)12-4-3-9-22-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyOTAOKYIDNBVPSH-UHFFFAOYSA-N
XLogP0.48
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.48
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

N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51305621
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-pentylpropanamide
CID 108950784
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
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
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
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
2-[2,6-di(propan-2-yl)anilino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004698

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide (CID 108940840) is 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide is CC(C)NC(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide?
The InChIKey is OTAOKYIDNBVPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11(2)16-13(19)10-14(20)17-5-7-18(8-6-17)15(21)12-4-3-9-22-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide?
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide has a molecular weight of 307.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide is sourced from PubChem (CID 108940840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).