4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one

C17H20FN3O3 — CID 138004963

IUPAC4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one
SMILESCOc1cccc(C2(F)CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)c1
InChIInChI=1S/C17H20FN3O3/c1-11-14(20-16(23)19-11)15(22)21-8-6-17(18,7-9-21)12-4-3-5-13(10-12)24-2/h3-5,10H,6-9H2,1-2H3,(H2,19,20,23)
InChIKeyCNJRNEKJSXTGLJ-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.12
Rot. Bonds3

About 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one

4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 138004963) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID138004963
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one
SMILESCOc1cccc(C2(F)CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)c1
InChIInChI=1S/C17H20FN3O3/c1-11-14(20-16(23)19-11)15(22)21-8-6-17(18,7-9-21)12-4-3-5-13(10-12)24-2/h3-5,10H,6-9H2,1-2H3,(H2,19,20,23)
InChIKeyCNJRNEKJSXTGLJ-UHFFFAOYSA-N
XLogP2.12
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one (CID 138004963) is 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one is COc1cccc(C2(F)CCN(C(=O)c3[nH]c(=O)[nH]c3C)CC2)c1.
What is the InChIKey of 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is CNJRNEKJSXTGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-14(20-16(23)19-11)15(22)21-8-6-17(18,7-9-21)12-4-3-5-13(10-12)24-2/h3-5,10H,6-9H2,1-2H3,(H2,19,20,23).
What are the key properties of 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one?
4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 333.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 138004963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).