N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H21N5O2 — CID 119709473

IUPACN-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(C)c1
InChIInChI=1S/C16H21N5O2/c1-11-9-13(23-2)3-4-14(11)18-16(22)15-10-21(20-19-15)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,22)
InChIKeyUNQWUJQCVVUFMS-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.77
Rot. Bonds4

About N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119709473) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119709473
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(C)c1
InChIInChI=1S/C16H21N5O2/c1-11-9-13(23-2)3-4-14(11)18-16(22)15-10-21(20-19-15)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,22)
InChIKeyUNQWUJQCVVUFMS-UHFFFAOYSA-N
XLogP1.77
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
N-(4-butan-2-ylsulfanyl-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119758934
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
methyl 4,5-dimethoxy-2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119677753
N-(2-methyl-5-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670857
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119709473) is N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is UNQWUJQCVVUFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-9-13(23-2)3-4-14(11)18-16(22)15-10-21(20-19-15)12-5-7-17-8-6-12/h3-4,9-10,12,17H,5-8H2,1-2H3,(H,18,22).
What are the key properties of N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119709473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).