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

C32H32F3N5O2 — CID 46209009

IUPAC2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC(c3ccccc3)C2)nc1C(F)(F)F
InChIInChI=1S/C32H32F3N5O2/c33-32(34,35)29-28(42-31(38-29)40-17-7-12-25(21-40)23-10-5-2-6-11-23)30(41)37-26-13-14-27(36-20-26)39-18-15-24(16-19-39)22-8-3-1-4-9-22/h1-6,8-11,13-14,20,24-25H,7,12,15-19,21H2,(H,37,41)
InChIKeyIUGDCDUAWNJYNC-UHFFFAOYSA-N
MW575.64 g/mol
LogP7.11
Rot. Bonds6

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

2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 46209009) has the molecular formula C32H32F3N5O2 and a molecular weight of 575.64 g/mol. Its IUPAC name is 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID46209009
Molecular FormulaC32H32F3N5O2
Molecular Weight575.64 g/mol
Exact Mass575.25
IUPAC Name2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC(c3ccccc3)C2)nc1C(F)(F)F
InChIInChI=1S/C32H32F3N5O2/c33-32(34,35)29-28(42-31(38-29)40-17-7-12-25(21-40)23-10-5-2-6-11-23)30(41)37-26-13-14-27(36-20-26)39-18-15-24(16-19-39)22-8-3-1-4-9-22/h1-6,8-11,13-14,20,24-25H,7,12,15-19,21H2,(H,37,41)
InChIKeyIUGDCDUAWNJYNC-UHFFFAOYSA-N
XLogP7.11
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.64
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 46209009) is 2-(3-phenylpiperidin-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-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC(c3ccccc3)C2)nc1C(F)(F)F.
What is the InChIKey of 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is IUGDCDUAWNJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O2/c33-32(34,35)29-28(42-31(38-29)40-17-7-12-25(21-40)23-10-5-2-6-11-23)30(41)37-26-13-14-27(36-20-26)39-18-15-24(16-19-39)22-8-3-1-4-9-22/h1-6,8-11,13-14,20,24-25H,7,12,15-19,21H2,(H,37,41).
What are the key properties of 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 575.64 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46209009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).