5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H26ClN5O2 — CID 119681133

IUPAC5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(OCCNC(=O)c2nnn(C3CCNCC3)c2C)cc1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-13-3-5-16(6-4-13)25-12-11-20-18(24)17-14(2)23(22-21-17)15-7-9-19-10-8-15;/h3-6,15,19H,7-12H2,1-2H3,(H,20,24);1H
InChIKeyLQACKTTULQCVFW-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.05
Rot. Bonds6

About 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119681133) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119681133
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(OCCNC(=O)c2nnn(C3CCNCC3)c2C)cc1.Cl
InChIInChI=1S/C18H25N5O2.ClH/c1-13-3-5-16(6-4-13)25-12-11-20-18(24)17-14(2)23(22-21-17)15-7-9-19-10-8-15;/h3-6,15,19H,7-12H2,1-2H3,(H,20,24);1H
InChIKeyLQACKTTULQCVFW-UHFFFAOYSA-N
XLogP2.05
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride 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-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595
5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119738741
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146
5-methyl-1-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]triazole-4-carboxamide
CID 119784371
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119681133) is 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(OCCNC(=O)c2nnn(C3CCNCC3)c2C)cc1.Cl.
What is the InChIKey of 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LQACKTTULQCVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.ClH/c1-13-3-5-16(6-4-13)25-12-11-20-18(24)17-14(2)23(22-21-17)15-7-9-19-10-8-15;/h3-6,15,19H,7-12H2,1-2H3,(H,20,24);1H.
What are the key properties of 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119681133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).