N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide

C24H26FN3O3 — CID 67652353

IUPACN-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C=C(c2ccc(N3CCN(Cc4ccccc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN3O3/c1-17(29)26-15-20-14-21(24(30)31-20)19-7-8-23(22(25)13-19)28-11-9-27(10-12-28)16-18-5-3-2-4-6-18/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyWQCBHXVUEPFZJP-HXUWFJFHSA-N
MW423.49 g/mol
LogP2.59
Rot. Bonds6

About N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide

N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide (PubChem CID 67652353) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
PubChem CID67652353
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C=C(c2ccc(N3CCN(Cc4ccccc4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H26FN3O3/c1-17(29)26-15-20-14-21(24(30)31-20)19-7-8-23(22(25)13-19)28-11-9-27(10-12-28)16-18-5-3-2-4-6-18/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyWQCBHXVUEPFZJP-HXUWFJFHSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-4-[4-[4-(cyanomethyl)piperazin-1-yl]-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 139816106
N-[[(2R)-4-(3-fluoro-4-piperazin-1-ylphenyl)-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 139816096
N-[[(2R)-4-[3-fluoro-4-[1-(2-hydroxyacetyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide
CID 22949497
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
N-[[3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67226556
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053
[2-[4-[4-[(2R)-2-(acetamidomethyl)-5-oxo-2H-furan-4-yl]phenyl]piperazin-1-yl]-2-oxoethyl] acetate
CID 67652560
N-[[(5S)-3-[4-[4-[(5-chlorofuran-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10114868
N-[[3-[3-fluoro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10296473
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
methyl 4-(4-benzylpiperazin-1-yl)-5-fluoro-2-methoxybenzoate
CID 23024318
N-[[3-[3-fluoro-4-[4-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20726142

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide (CID 67652353) is N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1C=C(c2ccc(N3CCN(Cc4ccccc4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
The InChIKey is WQCBHXVUEPFZJP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-17(29)26-15-20-14-21(24(30)31-20)19-7-8-23(22(25)13-19)28-11-9-27(10-12-28)16-18-5-3-2-4-6-18/h2-8,13-14,20H,9-12,15-16H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide?
N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide has a molecular weight of 423.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]-5-oxo-2H-furan-2-yl]methyl]acetamide is sourced from PubChem (CID 67652353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).