N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide

C20H22FN3O4 — CID 55851005

IUPACN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O4/c1-14-17(6-11-28-14)20(27)22-13-19(26)24-9-7-23(8-10-24)18(25)12-15-2-4-16(21)5-3-15/h2-6,11H,7-10,12-13H2,1H3,(H,22,27)
InChIKeyCPFVWTRGYXSSHF-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.37
Rot. Bonds5

About N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 55851005) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID55851005
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O4/c1-14-17(6-11-28-14)20(27)22-13-19(26)24-9-7-23(8-10-24)18(25)12-15-2-4-16(21)5-3-15/h2-6,11H,7-10,12-13H2,1H3,(H,22,27)
InChIKeyCPFVWTRGYXSSHF-UHFFFAOYSA-N
XLogP1.37
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55910128
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55830266
2-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]furan-3-carboxamide
CID 78893856
2-methyl-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]furan-3-carboxamide
CID 55834295
2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
CID 94812013
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate
CID 55821872
2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
CID 47713489
2-methyl-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)-6-azaspiro[2.5]octan-6-yl]ethyl]furan-3-carboxamide
CID 75470771

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 55851005) is N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is CPFVWTRGYXSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-14-17(6-11-28-14)20(27)22-13-19(26)24-9-7-23(8-10-24)18(25)12-15-2-4-16(21)5-3-15/h2-6,11H,7-10,12-13H2,1H3,(H,22,27).
What are the key properties of N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55851005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).