N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

C20H24N4O4 — CID 109030207

IUPACN-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O4/c1-15(25)21-16-4-2-5-17(14-16)22-19(26)7-8-23-9-11-24(12-10-23)20(27)18-6-3-13-28-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyNTBXKPJFBZEHLL-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.02
Rot. Bonds6

About N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide

N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 109030207) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID109030207
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C20H24N4O4/c1-15(25)21-16-4-2-5-17(14-16)22-19(26)7-8-23-9-11-24(12-10-23)20(27)18-6-3-13-28-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyNTBXKPJFBZEHLL-UHFFFAOYSA-N
XLogP2.02
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 37376311
N-[4-(diethylamino)phenyl]-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030213
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
N-(4-cyanophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376304
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(2,4-dichlorophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030220
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
methyl 2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]propanoylamino]benzoate
CID 109030209
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(5-chloro-2-methoxyphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37376096

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide (CID 109030207) is N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is CC(=O)Nc1cccc(NC(=O)CCN2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is NTBXKPJFBZEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-15(25)21-16-4-2-5-17(14-16)22-19(26)7-8-23-9-11-24(12-10-23)20(27)18-6-3-13-28-18/h2-6,13-14H,7-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide?
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109030207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).