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

C26H28F3N5O2 — CID 67389970

IUPACN-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O2/c27-26(28,29)23-22(36-25(32-23)34-13-5-2-6-14-34)24(35)31-20-9-10-21(30-17-20)33-15-11-19(12-16-33)18-7-3-1-4-8-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,31,35)
InChIKeyBSLPZZOICHTNQQ-UHFFFAOYSA-N
MW499.54 g/mol
LogP5.72
Rot. Bonds5

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

N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 67389970) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID67389970
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC NameN-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C26H28F3N5O2/c27-26(28,29)23-22(36-25(32-23)34-13-5-2-6-14-34)24(35)31-20-9-10-21(30-17-20)33-15-11-19(12-16-33)18-7-3-1-4-8-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,31,35)
InChIKeyBSLPZZOICHTNQQ-UHFFFAOYSA-N
XLogP5.72
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.54
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 67389970) is N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is BSLPZZOICHTNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c27-26(28,29)23-22(36-25(32-23)34-13-5-2-6-14-34)24(35)31-20-9-10-21(30-17-20)33-15-11-19(12-16-33)18-7-3-1-4-8-18/h1,3-4,7-10,17,19H,2,5-6,11-16H2,(H,31,35).
What are the key properties of N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 499.54 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 67389970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).