N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide

C25H24F3N3O — CID 92577245

About N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide

N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide (PubChem CID 92577245) has the molecular formula C25H24F3N3O and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
• PubChem CID: 92577245
• Molecular Formula: C25H24F3N3O
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
• SMILES: O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)c1cccc(F)c1
• InChI: InChI=1S/C25H24F3N3O/c26-20-9-3-6-17(14-20)25(32)30-24(22-11-1-2-12-29-22)19-8-5-13-31(16-19)15-18-7-4-10-21(27)23(18)28/h1-4,6-7,9-12,14,19,24H,5,8,13,15-16H2,(H,30,32)/t19-,24-/m0/s1
• InChIKey: RBWMPGWABNAJDZ-CYFREDJKSA-N
• XLogP: 4.88
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?

The IUPAC name of N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide (CID 92577245) is N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide.

What is the SMILES notation for N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?

The canonical SMILES for N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide is O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)c1cccc(F)c1.

What is the InChIKey of N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?

The InChIKey is RBWMPGWABNAJDZ-CYFREDJKSA-N. The full InChI is InChI=1S/C25H24F3N3O/c26-20-9-3-6-17(14-20)25(32)30-24(22-11-1-2-12-29-22)19-8-5-13-31(16-19)15-18-7-4-10-21(27)23(18)28/h1-4,6-7,9-12,14,19,24H,5,8,13,15-16H2,(H,30,32)/t19-,24-/m0/s1.

What are the key properties of N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide?

N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide has a molecular weight of 439.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[(3S)-1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide is sourced from PubChem (CID 92577245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).