(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

C17H22F3N5O2 — CID 95114708

IUPAC(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C17H22F3N5O2/c1-27-9-3-7-21-15(26)12-4-2-8-24(10-12)16-23-22-14-6-5-13(11-25(14)16)17(18,19)20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,26)/t12-/m1/s1
InChIKeyHTFWCAHEWQOZHD-GFCCVEGCSA-N
MW385.39 g/mol
LogP2.12
Rot. Bonds6

About (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide

(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (PubChem CID 95114708) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
PubChem CID95114708
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1
InChIInChI=1S/C17H22F3N5O2/c1-27-9-3-7-21-15(26)12-4-2-8-24(10-12)16-23-22-14-6-5-13(11-25(14)16)17(18,19)20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,26)/t12-/m1/s1
InChIKeyHTFWCAHEWQOZHD-GFCCVEGCSA-N
XLogP2.12
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide 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

N-propyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 53202994
(3R)-N-(2-pyridin-4-ylethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115191
(3R)-N-[(2-methoxyphenyl)methyl]-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 95115170
(3S)-N-(pyridin-4-ylmethyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide
CID 97416526
N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203332
pyrrolidin-1-yl-[(3R)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-3-yl]methanone
CID 95115197
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 53202982
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
N-(3-methoxypropyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513495
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3R)-N-(3-methoxypropyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085563

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide (CID 95114708) is (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is COCCCNC(=O)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn23)C1.
What is the InChIKey of (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
The InChIKey is HTFWCAHEWQOZHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F3N5O2/c1-27-9-3-7-21-15(26)12-4-2-8-24(10-12)16-23-22-14-6-5-13(11-25(14)16)17(18,19)20/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,26)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide?
(3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methoxypropyl)-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95114708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).