4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

C18H20FN3O3 — CID 47062417

IUPAC4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccco3)CC2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-13-4-5-14(11-16(13)19)17(23)21-6-8-22(9-7-21)18(24)20-12-15-3-2-10-25-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,24)
InChIKeyYFYXFSNWMCYKIZ-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.39
Rot. Bonds3

About 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide

4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 47062417) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID47062417
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccco3)CC2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-13-4-5-14(11-16(13)19)17(23)21-6-8-22(9-7-21)18(24)20-12-15-3-2-10-25-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,24)
InChIKeyYFYXFSNWMCYKIZ-UHFFFAOYSA-N
XLogP2.39
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021551
1-(3,4-difluorobenzoyl)-N-(furan-2-ylmethyl)azetidine-3-carboxamide
CID 56724413
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55959407
N-(furan-2-ylmethyl)-4-(5-oxo-7,8-dihydro-6H-naphthalene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 24736384
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498
(3-fluoro-4-hydroxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154863760
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60505820
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110810845

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide (CID 47062417) is 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccco3)CC2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is YFYXFSNWMCYKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-13-4-5-14(11-16(13)19)17(23)21-6-8-22(9-7-21)18(24)20-12-15-3-2-10-25-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,24).
What are the key properties of 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide?
4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylbenzoyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47062417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).