4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide

C15H21N3O4 — CID 22594028

IUPAC4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCN(C(=O)c2ccoc2)CC1)C(N)=O
InChIInChI=1S/C15H21N3O4/c1-15(2,14(16)21)9-12(19)17-4-6-18(7-5-17)13(20)11-3-8-22-10-11/h3,8,10H,4-7,9H2,1-2H3,(H2,16,21)
InChIKeyZMJYGNADVOEFNP-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.47
Rot. Bonds4

About 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide

4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide (PubChem CID 22594028) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
PubChem CID22594028
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCN(C(=O)c2ccoc2)CC1)C(N)=O
InChIInChI=1S/C15H21N3O4/c1-15(2,14(16)21)9-12(19)17-4-6-18(7-5-17)13(20)11-3-8-22-10-11/h3,8,10H,4-7,9H2,1-2H3,(H2,16,21)
InChIKeyZMJYGNADVOEFNP-UHFFFAOYSA-N
XLogP0.47
TPSA96.85 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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 32532383
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 32531189
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
1-(4-ethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32528448
2,2-dimethyl-4-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 22594058
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
CID 64678812
1-(3,4-dimethylphenyl)-4-[4-(furan-3-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 32533921
N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
CID 42955051
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione
CID 32532204
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide (CID 22594028) is 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide is CC(C)(CC(=O)N1CCN(C(=O)c2ccoc2)CC1)C(N)=O.
What is the InChIKey of 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The InChIKey is ZMJYGNADVOEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2,14(16)21)9-12(19)17-4-6-18(7-5-17)13(20)11-3-8-22-10-11/h3,8,10H,4-7,9H2,1-2H3,(H2,16,21).
What are the key properties of 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide has a molecular weight of 307.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-3-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 22594028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).