4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide

C15H24F3N5O — CID 75506490

IUPAC4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCC(n2cncn2)CC1)C(F)(F)F
InChIInChI=1S/C15H24F3N5O/c1-14(2,3)8-12(15(16,17)18)21-13(24)22-6-4-11(5-7-22)23-10-19-9-20-23/h9-12H,4-8H2,1-3H3,(H,21,24)
InChIKeyCLPRHNZZRUAAQY-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.99
Rot. Bonds3

About 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide

4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 75506490) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
PubChem CID75506490
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC Name4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)CC(NC(=O)N1CCC(n2cncn2)CC1)C(F)(F)F
InChIInChI=1S/C15H24F3N5O/c1-14(2,3)8-12(15(16,17)18)21-13(24)22-6-4-11(5-7-22)23-10-19-9-20-23/h9-12H,4-8H2,1-3H3,(H,21,24)
InChIKeyCLPRHNZZRUAAQY-UHFFFAOYSA-N
XLogP2.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
N-(1-propyl-1H-1,2,4-triazol-3-yl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 46992670
1-(2-Methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
CID 75484662
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43603376
N-piperidin-4-yl-3-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603378
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 43603380
1-[3-(1H-1,2,4-triazol-1-yl)piperidin-1-yl]-3-[(2,2,2-trifluoroethyl)amino]propan-1-one
CID 72141965
3-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 75448673
3-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 84591845
3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 84592171
1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95750463
1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95750464

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide (CID 75506490) is 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide is CC(C)(C)CC(NC(=O)N1CCC(n2cncn2)CC1)C(F)(F)F.
What is the InChIKey of 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is CLPRHNZZRUAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-14(2,3)8-12(15(16,17)18)21-13(24)22-6-4-11(5-7-22)23-10-19-9-20-23/h9-12H,4-8H2,1-3H3,(H,21,24).
What are the key properties of 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide?
4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75506490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).