4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride

C16H19ClF3N5O3 — CID 171707518

IUPAC4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1nc(C(F)(F)F)n[nH]1.Cl
InChIInChI=1S/C16H18F3N5O3.ClH/c1-8-5-10(9-3-2-4-20-6-9)27-14(26)12(8)13(25)21-7-11-22-15(24-23-11)16(17,18)19;/h5,9,20H,2-4,6-7H2,1H3,(H,21,25)(H,22,23,24);1H
InChIKeyHHSGSLVCVQUAOL-UHFFFAOYSA-N
MW421.81 g/mol
LogP1.90
Rot. Bonds4

About 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride

4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride (PubChem CID 171707518) has the molecular formula C16H19ClF3N5O3 and a molecular weight of 421.81 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
PubChem CID171707518
Molecular FormulaC16H19ClF3N5O3
Molecular Weight421.81 g/mol
Exact Mass421.11
IUPAC Name4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1nc(C(F)(F)F)n[nH]1.Cl
InChIInChI=1S/C16H18F3N5O3.ClH/c1-8-5-10(9-3-2-4-20-6-9)27-14(26)12(8)13(25)21-7-11-22-15(24-23-11)16(17,18)19;/h5,9,20H,2-4,6-7H2,1H3,(H,21,25)(H,22,23,24);1H
InChIKeyHHSGSLVCVQUAOL-UHFFFAOYSA-N
XLogP1.90
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride 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

4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 169412165
4-methyl-2-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710954
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
N-methyl-5-[[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 171710788
N-[2-(3,5-dimethyl-2-pyridinyl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170507480
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710142
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
4-methyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171911433
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
(3R)-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 125439836

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride (CID 171707518) is 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1nc(C(F)(F)F)n[nH]1.Cl.
What is the InChIKey of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride?
The InChIKey is HHSGSLVCVQUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3.ClH/c1-8-5-10(9-3-2-4-20-6-9)27-14(26)12(8)13(25)21-7-11-22-15(24-23-11)16(17,18)19;/h5,9,20H,2-4,6-7H2,1H3,(H,21,25)(H,22,23,24);1H.
What are the key properties of 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride?
4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride has a molecular weight of 421.81 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-piperidin-3-yl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171707518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).