(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C13H16F3N3O — CID 99857723

IUPAC(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H16F3N3O/c1-8-2-3-9(12(17)20)7-19(8)11-6-10(4-5-18-11)13(14,15)16/h4-6,8-9H,2-3,7H2,1H3,(H2,17,20)/t8-,9+/m0/s1
InChIKeyXLCJHLJEPAASMM-DTWKUNHWSA-N
MW287.29 g/mol
LogP2.19
Rot. Bonds2

About (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 99857723) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID99857723
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESC[C@H]1CC[C@@H](C(N)=O)CN1c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C13H16F3N3O/c1-8-2-3-9(12(17)20)7-19(8)11-6-10(4-5-18-11)13(14,15)16/h4-6,8-9H,2-3,7H2,1H3,(H2,17,20)/t8-,9+/m0/s1
InChIKeyXLCJHLJEPAASMM-DTWKUNHWSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
6-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344720
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
CID 133271070
(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 99857708
1-(2-amino-6-chloropyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
CID 47357719
4-[(1R,4R)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 143666594
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
CID 107544065
2-[(1S)-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.0]hexan-2-yl]pyrimidine-5-carboxylic acid
CID 70253893
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
6-methyl-1-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 86818317

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 99857723) is (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is C[C@H]1CC[C@@H](C(N)=O)CN1c1cc(C(F)(F)F)ccn1.
What is the InChIKey of (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is XLCJHLJEPAASMM-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-2-3-9(12(17)20)7-19(8)11-6-10(4-5-18-11)13(14,15)16/h4-6,8-9H,2-3,7H2,1H3,(H2,17,20)/t8-,9+/m0/s1.
What are the key properties of (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 99857723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).