2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O3 — CID 119441481

IUPAC2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOCCOc1ccc(-n2nc(C)c(C(=O)N(C)C3CCNCC3)n2)cc1.Cl
InChIInChI=1S/C19H27N5O3.ClH/c1-14-18(19(25)23(2)15-8-10-20-11-9-15)22-24(21-14)16-4-6-17(7-5-16)27-13-12-26-3;/h4-7,15,20H,8-13H2,1-3H3;1H
InChIKeyDDHPALOEIVDGFD-UHFFFAOYSA-N
MW409.92 g/mol
LogP1.85
Rot. Bonds7

About 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride

2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119441481) has the molecular formula C19H28ClN5O3 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119441481
Molecular FormulaC19H28ClN5O3
Molecular Weight409.92 g/mol
Exact Mass409.19
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOCCOc1ccc(-n2nc(C)c(C(=O)N(C)C3CCNCC3)n2)cc1.Cl
InChIInChI=1S/C19H27N5O3.ClH/c1-14-18(19(25)23(2)15-8-10-20-11-9-15)22-24(21-14)16-4-6-17(7-5-16)27-13-12-26-3;/h4-7,15,20H,8-13H2,1-3H3;1H
InChIKeyDDHPALOEIVDGFD-UHFFFAOYSA-N
XLogP1.85
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119445229
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]methanone;hydrochloride
CID 120655467
2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120573390
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613688
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613687
N-(2-amino-2-ethylbutyl)-2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 119640067
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[2-[4-(2-methoxyethoxy)phenyl]-5-methyltriazol-4-yl]methanone
CID 122147772
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
N-methyl-1-phenyl-N-piperidin-4-yl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119444107
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119441481) is 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COCCOc1ccc(-n2nc(C)c(C(=O)N(C)C3CCNCC3)n2)cc1.Cl.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is DDHPALOEIVDGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.ClH/c1-14-18(19(25)23(2)15-8-10-20-11-9-15)22-24(21-14)16-4-6-17(7-5-16)27-13-12-26-3;/h4-7,15,20H,8-13H2,1-3H3;1H.
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 409.92 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-N,5-dimethyl-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119441481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).