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

C16H18F3N5O2 — CID 90648623

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1nnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1
InChIInChI=1S/C16H18F3N5O2/c1-10-22-23-14(26-10)9-21-15(25)11-4-6-24(7-5-11)13-3-2-12(8-20-13)16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H,21,25)
InChIKeyLBDOCVOZTKRQAG-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.32
Rot. Bonds4

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 90648623) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID90648623
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1nnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1
InChIInChI=1S/C16H18F3N5O2/c1-10-22-23-14(26-10)9-21-15(25)11-4-6-24(7-5-11)13-3-2-12(8-20-13)16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H,21,25)
InChIKeyLBDOCVOZTKRQAG-UHFFFAOYSA-N
XLogP2.32
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 90648623) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is Cc1nnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LBDOCVOZTKRQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-10-22-23-14(26-10)9-21-15(25)11-4-6-24(7-5-11)13-3-2-12(8-20-13)16(17,18)19/h2-3,8,11H,4-7,9H2,1H3,(H,21,25).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 90648623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).