(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride

C23H31ClF3N5O3 — CID 66755161

About (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 66755161) has the molecular formula C23H31ClF3N5O3 and a molecular weight of 517.98 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride
• PubChem CID: 66755161
• Molecular Formula: C23H31ClF3N5O3
• Molecular Weight: 517.98 g/mol
• Exact Mass: 517.21
• IUPAC Name: (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride
• SMILES: CC(C)c1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1.Cl
• InChI: InChI=1S/C23H30F3N5O3.ClH/c1-14(2)20-28-21(34-29-20)17-11-16(15-3-5-19(6-4-15)33-23(24,25)26)12-31(13-17)22(32)30-9-7-18(27)8-10-30;/h3-6,14,16-18H,7-13,27H2,1-2H3;1H
• InChIKey: WNOQWQRGHOJFIX-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 97.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.98
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?

The IUPAC name of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride (CID 66755161) is (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride.

What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?

The canonical SMILES for (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride is CC(C)c1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)n1.Cl.

What is the InChIKey of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?

The InChIKey is WNOQWQRGHOJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O3.ClH/c1-14(2)20-28-21(34-29-20)17-11-16(15-3-5-19(6-4-15)33-23(24,25)26)12-31(13-17)22(32)30-9-7-18(27)8-10-30;/h3-6,14,16-18H,7-13,27H2,1-2H3;1H.

What are the key properties of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?

(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 517.98 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 66755161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).