N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C21H25N3O4 — CID 55870206

IUPACN-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-14-12-19(16(3)28-14)21(27)22-13-20(26)24-10-8-23(9-11-24)18-6-4-17(5-7-18)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,22,27)
InChIKeyUMESETBQPCJNTP-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.18
Rot. Bonds5

About N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55870206) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55870206
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C21H25N3O4/c1-14-12-19(16(3)28-14)21(27)22-13-20(26)24-10-8-23(9-11-24)18-6-4-17(5-7-18)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,22,27)
InChIKeyUMESETBQPCJNTP-UHFFFAOYSA-N
XLogP2.18
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780031
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55910128
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55882494
N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
CID 18552343
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55870206) is N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3cc(C)oc3C)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UMESETBQPCJNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-12-19(16(3)28-14)21(27)22-13-20(26)24-10-8-23(9-11-24)18-6-4-17(5-7-18)15(2)25/h4-7,12H,8-11,13H2,1-3H3,(H,22,27).
What are the key properties of N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55870206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).