N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C15H22ClF3N6O2 — CID 120641916

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N6O2.ClH/c1-23-14(20-12(22-23)9-2-4-19-5-3-9)21-13(26)10-6-11(25)24(7-10)8-15(16,17)18;/h9-10,19H,2-8H2,1H3,(H,20,21,22,26);1H
InChIKeyKEMWORQICBKMEK-UHFFFAOYSA-N
MW410.83 g/mol
LogP1.05
Rot. Bonds4

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120641916) has the molecular formula C15H22ClF3N6O2 and a molecular weight of 410.83 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120641916
Molecular FormulaC15H22ClF3N6O2
Molecular Weight410.83 g/mol
Exact Mass410.14
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N6O2.ClH/c1-23-14(20-12(22-23)9-2-4-19-5-3-9)21-13(26)10-6-11(25)24(7-10)8-15(16,17)18;/h9-10,19H,2-8H2,1H3,(H,20,21,22,26);1H
InChIKeyKEMWORQICBKMEK-UHFFFAOYSA-N
XLogP1.05
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-[5-[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 164638823
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72141826
(2-methylpyrrolidin-3-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 79379683
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120641917
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 120643079
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120643080
2-[5-(1-Cyclopentyl-5-oxopyrrolidin-3-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]acetamide
CID 131933521
N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 132377952
[3-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 167831454
3-(4-methyl-1,2,4-triazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 53506344
N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 60284562
[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63006428

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120641916) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is KEMWORQICBKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O2.ClH/c1-23-14(20-12(22-23)9-2-4-19-5-3-9)21-13(26)10-6-11(25)24(7-10)8-15(16,17)18;/h9-10,19H,2-8H2,1H3,(H,20,21,22,26);1H.
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 410.83 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120641916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).