N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C18H21F3N4O2 — CID 46968579

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)on1
InChIInChI=1S/C18H21F3N4O2/c1-2-14-9-15(27-24-14)11-23-17(26)12-5-7-25(8-6-12)16-4-3-13(10-22-16)18(19,20)21/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,23,26)
InChIKeyBCPXMKUJQNQAEV-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.18
Rot. Bonds5

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 46968579) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID46968579
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCCc1cc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)on1
InChIInChI=1S/C18H21F3N4O2/c1-2-14-9-15(27-24-14)11-23-17(26)12-5-7-25(8-6-12)16-4-3-13(10-22-16)18(19,20)21/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,23,26)
InChIKeyBCPXMKUJQNQAEV-UHFFFAOYSA-N
XLogP3.18
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 46968579) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CCc1cc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is BCPXMKUJQNQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-2-14-9-15(27-24-14)11-23-17(26)12-5-7-25(8-6-12)16-4-3-13(10-22-16)18(19,20)21/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,23,26).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 46968579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).