5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C21H26ClN5O2 — CID 119738741

IUPAC5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCOc2cccc3ccccc23)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H25N5O2.ClH/c1-15-20(24-25-26(15)17-9-11-22-12-10-17)21(27)23-13-14-28-19-8-4-6-16-5-2-3-7-18(16)19;/h2-8,17,22H,9-14H2,1H3,(H,23,27);1H
InChIKeyXBQIVBDSABVNKK-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.89
Rot. Bonds6

About 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119738741) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119738741
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCOc2cccc3ccccc23)nnn1C1CCNCC1.Cl
InChIInChI=1S/C21H25N5O2.ClH/c1-15-20(24-25-26(15)17-9-11-22-12-10-17)21(27)23-13-14-28-19-8-4-6-16-5-2-3-7-18(16)19;/h2-8,17,22H,9-14H2,1H3,(H,23,27);1H
InChIKeyXBQIVBDSABVNKK-UHFFFAOYSA-N
XLogP2.89
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]triazole-4-carboxamide
CID 119784371
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
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-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 126792948
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
N-(2-hydroxy-2-naphthalen-2-ylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119708285
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673146

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119738741) is 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCOc2cccc3ccccc23)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XBQIVBDSABVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.ClH/c1-15-20(24-25-26(15)17-9-11-22-12-10-17)21(27)23-13-14-28-19-8-4-6-16-5-2-3-7-18(16)19;/h2-8,17,22H,9-14H2,1H3,(H,23,27);1H.
What are the key properties of 5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(2-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 415.93 g/mol, XLogP of 2.89, 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-naphthalen-1-yloxyethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119738741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).