2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide

C30H34F7N3O3 — CID 11527370

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide (PubChem CID 11527370) has the molecular formula C30H34F7N3O3 and a molecular weight of 617.61 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide
• PubChem CID: 11527370
• Molecular Formula: C30H34F7N3O3
• Molecular Weight: 617.61 g/mol
• Exact Mass: 617.25
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide
• SMILES: Cc1cc(F)ccc1[C@@H]1CN(C2CN(C(=O)CO)C2)CC[C@H]1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C30H34F7N3O3/c1-17-9-21(31)5-6-23(17)24-15-39(22-13-40(14-22)26(42)16-41)8-7-25(24)38(4)27(43)28(2,3)18-10-19(29(32,33)34)12-20(11-18)30(35,36)37/h5-6,9-12,22,24-25,41H,7-8,13-16H2,1-4H3/t24-,25+/m0/s1
• InChIKey: XTIYNCHLUVKQOG-LOSJGSFVSA-N
• XLogP: 4.97
• TPSA: 64.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.61
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide (CID 11527370) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide is Cc1cc(F)ccc1[C@@H]1CN(C2CN(C(=O)CO)C2)CC[C@H]1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide?

The InChIKey is XTIYNCHLUVKQOG-LOSJGSFVSA-N. The full InChI is InChI=1S/C30H34F7N3O3/c1-17-9-21(31)5-6-23(17)24-15-39(22-13-40(14-22)26(42)16-41)8-7-25(24)38(4)27(43)28(2,3)18-10-19(29(32,33)34)12-20(11-18)30(35,36)37/h5-6,9-12,22,24-25,41H,7-8,13-16H2,1-4H3/t24-,25+/m0/s1.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide has a molecular weight of 617.61 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)-1-[1-(2-hydroxyacetyl)azetidin-3-yl]piperidin-4-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 11527370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).