N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide

C19H19F2N3O4 — CID 55830266

IUPACN-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H19F2N3O4/c1-12-14(4-9-28-12)18(26)22-11-17(25)23-5-7-24(8-6-23)19(27)13-2-3-15(20)16(21)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,22,26)
InChIKeyGUNHCSHKTAVPCM-UHFFFAOYSA-N
MW391.37 g/mol
LogP1.58
Rot. Bonds4

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

N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 55830266) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID55830266
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC NameN-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H19F2N3O4/c1-12-14(4-9-28-12)18(26)22-11-17(25)23-5-7-24(8-6-23)19(27)13-2-3-15(20)16(21)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,22,26)
InChIKeyGUNHCSHKTAVPCM-UHFFFAOYSA-N
XLogP1.58
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.58
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-methylfuran-3-carboxamide
CID 55851005
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
2-methyl-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]furan-3-carboxamide
CID 55834295
4-bromo-N-[3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 46413426
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110810845
2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
CID 94812013
2-methyl-N-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]furan-3-carboxamide
CID 78893856
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
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110815207

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 55830266) is N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is GUNHCSHKTAVPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-12-14(4-9-28-12)18(26)22-11-17(25)23-5-7-24(8-6-23)19(27)13-2-3-15(20)16(21)10-13/h2-4,9-10H,5-8,11H2,1H3,(H,22,26).
What are the key properties of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55830266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).