4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C24H26F3N5O2 — CID 121115632

IUPAC4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H26F3N5O2/c1-2-31-21(29-32(23(31)34)16-17-7-4-3-5-8-17)18-11-13-30(14-12-18)22(33)28-20-10-6-9-19(15-20)24(25,26)27/h3-10,15,18H,2,11-14,16H2,1H3,(H,28,33)
InChIKeyZYDGILBPHSJZHY-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.54
Rot. Bonds5

About 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 121115632) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID121115632
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H26F3N5O2/c1-2-31-21(29-32(23(31)34)16-17-7-4-3-5-8-17)18-11-13-30(14-12-18)22(33)28-20-10-6-9-19(15-20)24(25,26)27/h3-10,15,18H,2,11-14,16H2,1H3,(H,28,33)
InChIKeyZYDGILBPHSJZHY-UHFFFAOYSA-N
XLogP4.54
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-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

2-benzyl-4-ethyl-5-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115512
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
2-benzyl-4-ethyl-5-[1-(2-nitrobenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115451
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 53191248
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 121118302
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320533
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 121115632) is 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CCn1c(C2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nn(Cc2ccccc2)c1=O.
What is the InChIKey of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ZYDGILBPHSJZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-2-31-21(29-32(23(31)34)16-17-7-4-3-5-8-17)18-11-13-30(14-12-18)22(33)28-20-10-6-9-19(15-20)24(25,26)27/h3-10,15,18H,2,11-14,16H2,1H3,(H,28,33).
What are the key properties of 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 121115632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).