2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

C19H22FN3O3 — CID 17438730

IUPAC2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C19H22FN3O3/c1-21(2)18(24)13-22-9-11-23(12-10-22)19(25)17-8-7-16(26-17)14-5-3-4-6-15(14)20/h3-8H,9-13H2,1-2H3
InChIKeyIJRWPBKFBSNZIS-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.93
Rot. Bonds4

About 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 17438730) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID17438730
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C19H22FN3O3/c1-21(2)18(24)13-22-9-11-23(12-10-22)19(25)17-8-7-16(26-17)14-5-3-4-6-15(14)20/h3-8H,9-13H2,1-2H3
InChIKeyIJRWPBKFBSNZIS-UHFFFAOYSA-N
XLogP1.93
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39959005
(4-benzyl-1,4-diazepan-1-yl)-[5-(2-fluorophenyl)furan-2-yl]methanone
CID 18157493
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168
[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
[5-(2-fluorophenyl)furan-2-yl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 51124075
[5-(2-fluorophenyl)furan-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 167886745
[5-(2-fluorophenyl)furan-2-yl]-[4-(3-methyldiazirin-3-yl)piperidin-1-yl]methanone
CID 167817476
2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156852
2-[4-[1-(2-fluorophenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 46957228
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 8666053
5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-(2-fluorophenyl)furan-2-carboxylate
CID 46813002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 17438730) is 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1.
What is the InChIKey of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is IJRWPBKFBSNZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-21(2)18(24)13-22-9-11-23(12-10-22)19(25)17-8-7-16(26-17)14-5-3-4-6-15(14)20/h3-8H,9-13H2,1-2H3.
What are the key properties of 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 359.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 17438730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).