3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide

C25H25F2N3O — CID 95795487

About 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide

3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide (PubChem CID 95795487) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
• PubChem CID: 95795487
• Molecular Formula: C25H25F2N3O
• Molecular Weight: 421.49 g/mol
• Exact Mass: 421.20
• IUPAC Name: 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
• SMILES: O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(F)c1
• InChI: InChI=1S/C25H25F2N3O/c26-21-10-5-8-18(15-21)25(31)29-24(23-12-3-4-13-28-23)20-9-6-14-30(17-20)16-19-7-1-2-11-22(19)27/h1-5,7-8,10-13,15,20,24H,6,9,14,16-17H2,(H,29,31)/t20-,24+/m1/s1
• InChIKey: VFWHJSAJTQKKPG-YKSBVNFPSA-N
• XLogP: 4.74
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.49
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide?

The IUPAC name of 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide (CID 95795487) is 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide.

What is the SMILES notation for 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide?

The canonical SMILES for 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide is O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(F)c1.

What is the InChIKey of 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide?

The InChIKey is VFWHJSAJTQKKPG-YKSBVNFPSA-N. The full InChI is InChI=1S/C25H25F2N3O/c26-21-10-5-8-18(15-21)25(31)29-24(23-12-3-4-13-28-23)20-9-6-14-30(17-20)16-19-7-1-2-11-22(19)27/h1-5,7-8,10-13,15,20,24H,6,9,14,16-17H2,(H,29,31)/t20-,24+/m1/s1.

What are the key properties of 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide?

3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide has a molecular weight of 421.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide is sourced from PubChem (CID 95795487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).