N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C17H23N5O3 — CID 119705244

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC)c1
InChIInChI=1S/C17H23N5O3/c1-24-14-4-3-12(16(9-14)25-2)10-19-17(23)15-11-22(21-20-15)13-5-7-18-8-6-13/h3-4,9,11,13,18H,5-8,10H2,1-2H3,(H,19,23)
InChIKeyOLWADKHZVGCBHM-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.15
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119705244) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119705244
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC)c1
InChIInChI=1S/C17H23N5O3/c1-24-14-4-3-12(16(9-14)25-2)10-19-17(23)15-11-22(21-20-15)13-5-7-18-8-6-13/h3-4,9,11,13,18H,5-8,10H2,1-2H3,(H,19,23)
InChIKeyOLWADKHZVGCBHM-UHFFFAOYSA-N
XLogP1.15
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811777
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815741
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119705244) is N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OLWADKHZVGCBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-24-14-4-3-12(16(9-14)25-2)10-19-17(23)15-11-22(21-20-15)13-5-7-18-8-6-13/h3-4,9,11,13,18H,5-8,10H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119705244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).