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

C33H32F3N5O3 — CID 58429015

IUPACN-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C33H32F3N5O3/c34-33(35,36)30-29(44-32(39-30)41-19-13-23(14-20-41)22-7-3-1-4-8-22)31(43)38-26-11-12-27(37-21-26)40-17-15-25(16-18-40)28(42)24-9-5-2-6-10-24/h1-12,21,23,25H,13-20H2,(H,38,43)
InChIKeyVCGQDLBLMRRLNV-UHFFFAOYSA-N
MW603.65 g/mol
LogP6.82
Rot. Bonds7

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

N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 58429015) has the molecular formula C33H32F3N5O3 and a molecular weight of 603.65 g/mol. Its IUPAC name is N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID58429015
Molecular FormulaC33H32F3N5O3
Molecular Weight603.65 g/mol
Exact Mass603.25
IUPAC NameN-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C33H32F3N5O3/c34-33(35,36)30-29(44-32(39-30)41-19-13-23(14-20-41)22-7-3-1-4-8-22)31(43)38-26-11-12-27(37-21-26)40-17-15-25(16-18-40)28(42)24-9-5-2-6-10-24/h1-12,21,23,25H,13-20H2,(H,38,43)
InChIKeyVCGQDLBLMRRLNV-UHFFFAOYSA-N
XLogP6.82
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.65
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 58429015) is N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is O=C(Nc1ccc(N2CCC(C(=O)c3ccccc3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is VCGQDLBLMRRLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N5O3/c34-33(35,36)30-29(44-32(39-30)41-19-13-23(14-20-41)22-7-3-1-4-8-22)31(43)38-26-11-12-27(37-21-26)40-17-15-25(16-18-40)28(42)24-9-5-2-6-10-24/h1-12,21,23,25H,13-20H2,(H,38,43).
What are the key properties of N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 603.65 g/mol, XLogP of 6.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzoylpiperidin-1-yl)-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 58429015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).