1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one

C21H24FN3O — CID 70276573

IUPAC1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one
SMILESO=C1N(c2cccc(F)c2)CCN1C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H24FN3O/c22-18-8-4-9-19(14-18)24-12-13-25(21(24)26)20-10-5-11-23(16-20)15-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2
InChIKeyNDWJYFQFDCSNNF-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.73
Rot. Bonds4

About 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one

1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one (PubChem CID 70276573) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one
PubChem CID70276573
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one
SMILESO=C1N(c2cccc(F)c2)CCN1C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H24FN3O/c22-18-8-4-9-19(14-18)24-12-13-25(21(24)26)20-10-5-11-23(16-20)15-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2
InChIKeyNDWJYFQFDCSNNF-UHFFFAOYSA-N
XLogP3.73
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one (CID 70276573) is 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one is O=C1N(c2cccc(F)c2)CCN1C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one?
The InChIKey is NDWJYFQFDCSNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-18-8-4-9-19(14-18)24-12-13-25(21(24)26)20-10-5-11-23(16-20)15-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,15-16H2.
What are the key properties of 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one?
1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one has a molecular weight of 353.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-3-(3-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 70276573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).