5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide

C18H20FN3O3 — CID 135100880

IUPAC5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCNC(=O)C2c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FN3O3/c1-21(2)18(24)15-8-7-14(25-15)11-22-10-9-20-17(23)16(22)12-3-5-13(19)6-4-12/h3-8,16H,9-11H2,1-2H3,(H,20,23)
InChIKeyNFUIRCKPPBYNJW-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.79
Rot. Bonds4

About 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide

5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide (PubChem CID 135100880) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
PubChem CID135100880
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN2CCNC(=O)C2c2ccc(F)cc2)o1
InChIInChI=1S/C18H20FN3O3/c1-21(2)18(24)15-8-7-14(25-15)11-22-10-9-20-17(23)16(22)12-3-5-13(19)6-4-12/h3-8,16H,9-11H2,1-2H3,(H,20,23)
InChIKeyNFUIRCKPPBYNJW-UHFFFAOYSA-N
XLogP1.79
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56899649
4-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)piperazin-2-one
CID 77089729
5-[[(2S)-3-oxo-2-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carbonitrile
CID 97160362
4-[2-(4-fluorophenyl)acetyl]-3-(4-methylphenyl)piperazin-2-one
CID 110420024
(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
CID 29029624
5-[[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56895270
3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide
CID 124752783
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
7-[[(2S)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754555
7-[[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754556
(2R)-2-(4-fluorophenyl)-3-oxo-N-(2-propoxyethyl)piperazine-1-carboxamide
CID 126429449

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide (CID 135100880) is 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide is CN(C)C(=O)c1ccc(CN2CCNC(=O)C2c2ccc(F)cc2)o1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
The InChIKey is NFUIRCKPPBYNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-21(2)18(24)15-8-7-14(25-15)11-22-10-9-20-17(23)16(22)12-3-5-13(19)6-4-12/h3-8,16H,9-11H2,1-2H3,(H,20,23).
What are the key properties of 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide?
5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 135100880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).