4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C20H19ClF5N3O3 — CID 25104486

About 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 25104486) has the molecular formula C20H19ClF5N3O3 and a molecular weight of 479.83 g/mol. Its IUPAC name is 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• PubChem CID: 25104486
• Molecular Formula: C20H19ClF5N3O3
• Molecular Weight: 479.83 g/mol
• Exact Mass: 479.10
• IUPAC Name: 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
• SMILES: O=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCC(F)(c2ncc([C@@H](O)CO)cc2Cl)CC1
• InChI: InChI=1S/C20H19ClF5N3O3/c21-14-7-11(16(31)10-30)9-27-17(14)19(23)3-5-29(6-4-19)18(32)28-12-1-2-13(15(22)8-12)20(24,25)26/h1-2,7-9,16,30-31H,3-6,10H2,(H,28,32)/t16-/m0/s1
• InChIKey: LGBXVEHTLHONOH-INIZCTEOSA-N
• XLogP: 4.41
• TPSA: 85.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.83
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The IUPAC name of 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 25104486) is 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)c(F)c1)N1CCC(F)(c2ncc([C@@H](O)CO)cc2Cl)CC1.

What is the InChIKey of 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

The InChIKey is LGBXVEHTLHONOH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19ClF5N3O3/c21-14-7-11(16(31)10-30)9-27-17(14)19(23)3-5-29(6-4-19)18(32)28-12-1-2-13(15(22)8-12)20(24,25)26/h1-2,7-9,16,30-31H,3-6,10H2,(H,28,32)/t16-/m0/s1.

What are the key properties of 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?

4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 479.83 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 25104486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).