N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H26ClN5O4 — CID 119822603

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCNC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C18H25N5O4.ClH/c1-25-14-9-15(26-2)11-16(10-14)27-8-7-20-18(24)17-12-23(22-21-17)13-3-5-19-6-4-13;/h9-13,19H,3-8H2,1-2H3,(H,20,24);1H
InChIKeyVIANUHYWFLWRFL-UHFFFAOYSA-N
MW411.89 g/mol
LogP1.45
Rot. Bonds8

About N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119822603) has the molecular formula C18H26ClN5O4 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119822603
Molecular FormulaC18H26ClN5O4
Molecular Weight411.89 g/mol
Exact Mass411.17
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(OCCNC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C18H25N5O4.ClH/c1-25-14-9-15(26-2)11-16(10-14)27-8-7-20-18(24)17-12-23(22-21-17)13-3-5-19-6-4-13;/h9-13,19H,3-8H2,1-2H3,(H,20,24);1H
InChIKeyVIANUHYWFLWRFL-UHFFFAOYSA-N
XLogP1.45
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-piperidin-4-yl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole-4-carboxamide;hydrochloride
CID 119736753
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595
N-[2-(2,6-dimethylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734919
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119900756
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119822603) is N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1cc(OC)cc(OCCNC(=O)c2cn(C3CCNCC3)nn2)c1.Cl.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is VIANUHYWFLWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4.ClH/c1-25-14-9-15(26-2)11-16(10-14)27-8-7-20-18(24)17-12-23(22-21-17)13-3-5-19-6-4-13;/h9-13,19H,3-8H2,1-2H3,(H,20,24);1H.
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 411.89 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119822603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).