N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide

C23H26FN3O2 — CID 46040658

About N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide

N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide (PubChem CID 46040658) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide
• PubChem CID: 46040658
• Molecular Formula: C23H26FN3O2
• Molecular Weight: 395.48 g/mol
• Exact Mass: 395.20
• IUPAC Name: N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide
• SMILES: O=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)C1CCCC1
• InChI: InChI=1S/C23H26FN3O2/c24-19-9-3-6-17(14-19)16-26-12-5-13-27(23(26)29)21-11-4-10-20(15-21)25-22(28)18-7-1-2-8-18/h3-4,6,9-11,14-15,18H,1-2,5,7-8,12-13,16H2,(H,25,28)
• InChIKey: DRWJSSUSANQOAM-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.48
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide?

The IUPAC name of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide (CID 46040658) is N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide.

What is the SMILES notation for N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide?

The canonical SMILES for N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1cccc(N2CCCN(Cc3cccc(F)c3)C2=O)c1)C1CCCC1.

What is the InChIKey of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide?

The InChIKey is DRWJSSUSANQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-19-9-3-6-17(14-19)16-26-12-5-13-27(23(26)29)21-11-4-10-20(15-21)25-22(28)18-7-1-2-8-18/h3-4,6,9-11,14-15,18H,1-2,5,7-8,12-13,16H2,(H,25,28).

What are the key properties of N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide?

N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(3-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46040658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).