5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H21N5OS — CID 119694248

IUPAC5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)cc1
InChIInChI=1S/C16H21N5OS/c1-11-15(19-20-21(11)13-7-9-17-10-8-13)16(22)18-12-3-5-14(23-2)6-4-12/h3-6,13,17H,7-10H2,1-2H3,(H,18,22)
InChIKeyUGHMXSHQTYPAQF-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.49
Rot. Bonds4

About 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119694248) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119694248
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCSc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)cc1
InChIInChI=1S/C16H21N5OS/c1-11-15(19-20-21(11)13-7-9-17-10-8-13)16(22)18-12-3-5-14(23-2)6-4-12/h3-6,13,17H,7-10H2,1-2H3,(H,18,22)
InChIKeyUGHMXSHQTYPAQF-UHFFFAOYSA-N
XLogP2.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119759332
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119694248) is 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is CSc1ccc(NC(=O)c2nnn(C3CCNCC3)c2C)cc1.
What is the InChIKey of 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UGHMXSHQTYPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-15(19-20-21(11)13-7-9-17-10-8-13)16(22)18-12-3-5-14(23-2)6-4-12/h3-6,13,17H,7-10H2,1-2H3,(H,18,22).
What are the key properties of 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119694248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).