N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid

C26H37ClF3N3O5 — CID 67299487

About N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid

N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67299487) has the molecular formula C26H37ClF3N3O5 and a molecular weight of 564.05 g/mol. Its IUPAC name is N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 67299487
• Molecular Formula: C26H37ClF3N3O5
• Molecular Weight: 564.05 g/mol
• Exact Mass: 563.24
• IUPAC Name: N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC1(C)CN(C(=O)[C@@H](CCCN)NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H36ClN3O3.C2HF3O2/c1-23(2)16-28(15-13-24(23,31)18-9-11-19(25)12-10-18)22(30)20(8-5-14-26)27-21(29)17-6-3-4-7-17;3-2(4,5)1(6)7/h9-12,17,20,31H,3-8,13-16,26H2,1-2H3,(H,27,29);(H,6,7)/t20-,24+;/m1./s1
• InChIKey: JNAKEXZANBUHFQ-UFZJIDKFSA-N
• XLogP: 3.83
• TPSA: 132.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.05
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid (CID 67299487) is N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid is CC1(C)CN(C(=O)[C@@H](CCCN)NC(=O)C2CCCC2)CC[C@]1(O)c1ccc(Cl)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is JNAKEXZANBUHFQ-UFZJIDKFSA-N. The full InChI is InChI=1S/C24H36ClN3O3.C2HF3O2/c1-23(2)16-28(15-13-24(23,31)18-9-11-19(25)12-10-18)22(30)20(8-5-14-26)27-21(29)17-6-3-4-7-17;3-2(4,5)1(6)7/h9-12,17,20,31H,3-8,13-16,26H2,1-2H3,(H,27,29);(H,6,7)/t20-,24+;/m1./s1.

What are the key properties of N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid?

N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 564.05 g/mol, XLogP of 3.83, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-amino-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-1-oxopentan-2-yl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67299487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).