1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one

C23H26FN3O3 — CID 45171365

IUPAC1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C23H26FN3O3/c1-30-21-9-6-18(24)13-20(21)22(28)17-3-2-11-26(15-17)14-16-4-7-19(8-5-16)27-12-10-25-23(27)29/h4-9,13,17H,2-3,10-12,14-15H2,1H3,(H,25,29)
InChIKeyZMDJZGYDDBOHAQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one

1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one (PubChem CID 45171365) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
PubChem CID45171365
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C23H26FN3O3/c1-30-21-9-6-18(24)13-20(21)22(28)17-3-2-11-26(15-17)14-16-4-7-19(8-5-16)27-12-10-25-23(27)29/h4-9,13,17H,2-3,10-12,14-15H2,1H3,(H,25,29)
InChIKeyZMDJZGYDDBOHAQ-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one (CID 45171365) is 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one is COc1ccc(F)cc1C(=O)C1CCCN(Cc2ccc(N3CCNC3=O)cc2)C1.
What is the InChIKey of 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
The InChIKey is ZMDJZGYDDBOHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-30-21-9-6-18(24)13-20(21)22(28)17-3-2-11-26(15-17)14-16-4-7-19(8-5-16)27-12-10-25-23(27)29/h4-9,13,17H,2-3,10-12,14-15H2,1H3,(H,25,29).
What are the key properties of 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one?
1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one has a molecular weight of 411.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 45171365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).