N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C13H16F3N3O — CID 47174519

IUPACN-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N3O/c1-17-12(20)9-4-7-19(8-5-9)11-10(13(14,15)16)3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyYCQCWRQZZBRLSI-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.06
Rot. Bonds2

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

N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 47174519) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID47174519
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N3O/c1-17-12(20)9-4-7-19(8-5-9)11-10(13(14,15)16)3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,20)
InChIKeyYCQCWRQZZBRLSI-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 47174519) is N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is CNC(=O)C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YCQCWRQZZBRLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-17-12(20)9-4-7-19(8-5-9)11-10(13(14,15)16)3-2-6-18-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 47174519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).