1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea

C23H24F3N7O2 — CID 154858524

IUPAC1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C2)cc1
InChIInChI=1S/C23H24F3N7O2/c1-15-4-7-18(8-5-15)29-22(35)28-11-16-3-2-10-32(13-16)21(34)19-14-33(31-30-19)20-9-6-17(12-27-20)23(24,25)26/h4-9,12,14,16H,2-3,10-11,13H2,1H3,(H2,28,29,35)
InChIKeySKGPOCKEZHIGNH-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea

1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea (PubChem CID 154858524) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea
PubChem CID154858524
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC Name1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea
SMILESCc1ccc(NC(=O)NCC2CCCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C2)cc1
InChIInChI=1S/C23H24F3N7O2/c1-15-4-7-18(8-5-15)29-22(35)28-11-16-3-2-10-32(13-16)21(34)19-14-33(31-30-19)20-9-6-17(12-27-20)23(24,25)26/h4-9,12,14,16H,2-3,10-11,13H2,1H3,(H2,28,29,35)
InChIKeySKGPOCKEZHIGNH-UHFFFAOYSA-N
XLogP3.66
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea 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

[3-(methylaminomethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119395099
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119538739
1-(4-methylphenyl)-3-[[(3R)-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]urea
CID 52513508
[3-(1-aminoethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119593032
1-(4-methylphenyl)-3-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 52523350
1-(4-methylphenyl)-3-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-3-yl]methyl]urea
CID 51134808
1-(4-methylphenyl)-3-[[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]urea
CID 56510080
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
CID 119464987
3-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45186780
1-(4-methylphenyl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]urea
CID 124559977

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea (CID 154858524) is 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea is Cc1ccc(NC(=O)NCC2CCCN(C(=O)c3cn(-c4ccc(C(F)(F)F)cn4)nn3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea?
The InChIKey is SKGPOCKEZHIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-15-4-7-18(8-5-15)29-22(35)28-11-16-3-2-10-32(13-16)21(34)19-14-33(31-30-19)20-9-6-17(12-27-20)23(24,25)26/h4-9,12,14,16H,2-3,10-11,13H2,1H3,(H2,28,29,35).
What are the key properties of 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea?
1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea has a molecular weight of 487.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[1-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 154858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).