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

C28H32F3N5O2 — CID 46208903

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C28H32F3N5O2/c1-18-14-19(2)17-36(16-18)27-34-25(28(29,30)31)24(38-27)26(37)33-22-8-9-23(32-15-22)35-12-10-21(11-13-35)20-6-4-3-5-7-20/h3-9,15,18-19,21H,10-14,16-17H2,1-2H3,(H,33,37)
InChIKeyCQNLJKPDKSYJLE-UHFFFAOYSA-N
MW527.59 g/mol
LogP6.21
Rot. Bonds5

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

2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46208903) has the molecular formula C28H32F3N5O2 and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46208903
Molecular FormulaC28H32F3N5O2
Molecular Weight527.59 g/mol
Exact Mass527.25
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(c5ccccc5)CC4)nc3)o2)C1
InChIInChI=1S/C28H32F3N5O2/c1-18-14-19(2)17-36(16-18)27-34-25(28(29,30)31)24(38-27)26(37)33-22-8-9-23(32-15-22)35-12-10-21(11-13-35)20-6-4-3-5-7-20/h3-9,15,18-19,21H,10-14,16-17H2,1-2H3,(H,33,37)
InChIKeyCQNLJKPDKSYJLE-UHFFFAOYSA-N
XLogP6.21
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46208903) is 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is CC1CC(C)CN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(c5ccccc5)CC4)nc3)o2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is CQNLJKPDKSYJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O2/c1-18-14-19(2)17-36(16-18)27-34-25(28(29,30)31)24(38-27)26(37)33-22-8-9-23(32-15-22)35-12-10-21(11-13-35)20-6-4-3-5-7-20/h3-9,15,18-19,21H,10-14,16-17H2,1-2H3,(H,33,37).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 527.59 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46208903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).