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

C15H21F3N6O2 — CID 120641917

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N6O2/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)
InChIKeyAOIAKZWQRHLOGO-UHFFFAOYSA-N
MW374.37 g/mol
LogP0.63
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

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 120641917) has the molecular formula C15H21F3N6O2 and a molecular weight of 374.37 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.

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
PubChem CID120641917
Molecular FormulaC15H21F3N6O2
Molecular Weight374.37 g/mol
Exact Mass374.17
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C15H21F3N6O2/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)
InChIKeyAOIAKZWQRHLOGO-UHFFFAOYSA-N
XLogP0.63
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
(3S)-N-(7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1-cyanopyrrolidine-3-carboxamide
CID 172675542
1-(2-methylpropanoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 33504436
1-(2-methylpropyl)-5-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 45811381
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 53518701
1-N,1-N-dimethyl-4-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,4-dicarboxamide
CID 60499613
1-[4-(4-Ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72141826
N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 78928326
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyrrolidin-2-one
CID 78998683
(2-methylpyrrolidin-3-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 79379683
(3R)-1-(2-methylpropyl)-5-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 93611628
(3S)-1-(2-methylpropyl)-5-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
CID 93611629

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?
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 (CID 120641917) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
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?
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 is 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?
The InChIKey is AOIAKZWQRHLOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O2/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).
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?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 0.63, 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 is sourced from PubChem (CID 120641917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).