N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

C18H25N5OS — CID 119769642

IUPACN-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(C)Sc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C18H25N5OS/c1-18(2,3)25-15-6-4-13(5-7-15)20-17(24)16-12-23(22-21-16)14-8-10-19-11-9-14/h4-7,12,14,19H,8-11H2,1-3H3,(H,20,24)
InChIKeyFMUAEWVANMIQBD-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.35
Rot. Bonds4

About N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119769642) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119769642
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(C)Sc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C18H25N5OS/c1-18(2,3)25-15-6-4-13(5-7-15)20-17(24)16-12-23(22-21-16)14-8-10-19-11-9-14/h4-7,12,14,19H,8-11H2,1-3H3,(H,20,24)
InChIKeyFMUAEWVANMIQBD-UHFFFAOYSA-N
XLogP3.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-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

N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119698810
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119685721

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119769642) is N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is CC(C)(C)Sc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FMUAEWVANMIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-18(2,3)25-15-6-4-13(5-7-15)20-17(24)16-12-23(22-21-16)14-8-10-19-11-9-14/h4-7,12,14,19H,8-11H2,1-3H3,(H,20,24).
What are the key properties of N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119769642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).