methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate

C14H16F3N3O3 — CID 126806850

IUPACmethyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H16F3N3O3/c1-23-13(22)9-4-5-10(14(15,16)17)19-12(9)20-6-2-3-8(7-20)11(18)21/h4-5,8H,2-3,6-7H2,1H3,(H2,18,21)
InChIKeyFFRAYIWDYITSCU-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.59
Rot. Bonds3

About methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 126806850) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID126806850
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Namemethyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)nc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H16F3N3O3/c1-23-13(22)9-4-5-10(14(15,16)17)19-12(9)20-6-2-3-8(7-20)11(18)21/h4-5,8H,2-3,6-7H2,1H3,(H2,18,21)
InChIKeyFFRAYIWDYITSCU-UHFFFAOYSA-N
XLogP1.59
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875720
methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
CID 114404917
2-(azepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877717
2-(azocan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876505
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
2-(4-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876517
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carboxamide
CID 106747103
2-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103534087
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 115317036
methyl 6-chloro-2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 167311278

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate (CID 126806850) is methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(F)(F)F)nc1N1CCCC(C(N)=O)C1.
What is the InChIKey of methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is FFRAYIWDYITSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-23-13(22)9-4-5-10(14(15,16)17)19-12(9)20-6-2-3-8(7-20)11(18)21/h4-5,8H,2-3,6-7H2,1H3,(H2,18,21).
What are the key properties of methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 331.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 126806850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).