N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C27H30F3N5O3 — CID 46208788

About N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208788) has the molecular formula C27H30F3N5O3 and a molecular weight of 529.56 g/mol. Its IUPAC name is N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• PubChem CID: 46208788
• Molecular Formula: C27H30F3N5O3
• Molecular Weight: 529.56 g/mol
• Exact Mass: 529.23
• IUPAC Name: N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(O)(c5ccccc5)CC4)nc3)o2)C1
• InChI: InChI=1S/C27H30F3N5O3/c1-18-6-5-13-35(17-18)25-33-23(27(28,29)30)22(38-25)24(36)32-20-9-10-21(31-16-20)34-14-11-26(37,12-15-34)19-7-3-2-4-8-19/h2-4,7-10,16,18,37H,5-6,11-15,17H2,1H3,(H,32,36)
• InChIKey: XSUCWXKQXWYSNM-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 94.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.56
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208788) is N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(O)(c5ccccc5)CC4)nc3)o2)C1.

What is the InChIKey of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

The InChIKey is XSUCWXKQXWYSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O3/c1-18-6-5-13-35(17-18)25-33-23(27(28,29)30)22(38-25)24(36)32-20-9-10-21(31-16-20)34-14-11-26(37,12-15-34)19-7-3-2-4-8-19/h2-4,7-10,16,18,37H,5-6,11-15,17H2,1H3,(H,32,36).

What are the key properties of N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?

N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 529.56 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-hydroxy-4-phenylpiperidin-1-yl)-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).