1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

C18H20FN3O3 — CID 139011962

IUPAC1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C(c1cc2cc(F)ccc2o1)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C18H20FN3O3/c19-13-2-3-15-12(10-13)11-16(25-15)17(23)21-8-4-14(5-9-21)22-7-1-6-20-18(22)24/h2-3,10-11,14H,1,4-9H2,(H,20,24)
InChIKeySKXQTBXCCITKTF-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.59
Rot. Bonds2

About 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 139011962) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID139011962
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C(c1cc2cc(F)ccc2o1)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C18H20FN3O3/c19-13-2-3-15-12(10-13)11-16(25-15)17(23)21-8-4-14(5-9-21)22-7-1-6-20-18(22)24/h2-3,10-11,14H,1,4-9H2,(H,20,24)
InChIKeySKXQTBXCCITKTF-UHFFFAOYSA-N
XLogP2.59
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
(5-fluoro-1-benzofuran-2-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 118763819
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
1-[1-(5-fluoro-1-benzofuran-7-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136562645
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124700748
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124702462
1-[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 139000199
1-[1-(1-benzothiophene-5-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 136516942
3-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160201
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929955
[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl 5-fluoro-1-benzofuran-2-carboxylate
CID 99607288

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (CID 139011962) is 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is O=C(c1cc2cc(F)ccc2o1)N1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is SKXQTBXCCITKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-2-3-15-12(10-13)11-16(25-15)17(23)21-8-4-14(5-9-21)22-7-1-6-20-18(22)24/h2-3,10-11,14H,1,4-9H2,(H,20,24).
What are the key properties of 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 345.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 139011962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).