2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide

C26H27N3O4 — CID 16603865

IUPAC2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C26H27N3O4/c1-19(30)21-7-9-22(10-8-21)23-11-12-24(33-23)26(32)29-15-13-28(14-16-29)18-25(31)27-17-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,27,31)
InChIKeyCLGCIDWFMPVMEH-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.22
Rot. Bonds7

About 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide

2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide (PubChem CID 16603865) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
PubChem CID16603865
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C26H27N3O4/c1-19(30)21-7-9-22(10-8-21)23-11-12-24(33-23)26(32)29-15-13-28(14-16-29)18-25(31)27-17-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,27,31)
InChIKeyCLGCIDWFMPVMEH-UHFFFAOYSA-N
XLogP3.22
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-N-benzylacetamide
CID 17441066
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
methyl 3-[4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]benzoate
CID 3853869
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
CID 34436116

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide (CID 16603865) is 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide is CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide?
The InChIKey is CLGCIDWFMPVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-19(30)21-7-9-22(10-8-21)23-11-12-24(33-23)26(32)29-15-13-28(14-16-29)18-25(31)27-17-20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,27,31).
What are the key properties of 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide?
2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide has a molecular weight of 445.52 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 16603865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).