5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C22H26ClN5O2 — CID 119680433

IUPAC5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cccc(Oc2ccccc2NC(=O)c2nnn(C3CCNCC3)c2C)c1.Cl
InChIInChI=1S/C22H25N5O2.ClH/c1-15-6-5-7-18(14-15)29-20-9-4-3-8-19(20)24-22(28)21-16(2)27(26-25-21)17-10-12-23-13-11-17;/h3-9,14,17,23H,10-13H2,1-2H3,(H,24,28);1H
InChIKeyZOAVAIWCIRFLLY-UHFFFAOYSA-N
MW427.94 g/mol
LogP4.29
Rot. Bonds5

About 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119680433) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119680433
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cccc(Oc2ccccc2NC(=O)c2nnn(C3CCNCC3)c2C)c1.Cl
InChIInChI=1S/C22H25N5O2.ClH/c1-15-6-5-7-18(14-15)29-20-9-4-3-8-19(20)24-22(28)21-16(2)27(26-25-21)17-10-12-23-13-11-17;/h3-9,14,17,23H,10-13H2,1-2H3,(H,24,28);1H
InChIKeyZOAVAIWCIRFLLY-UHFFFAOYSA-N
XLogP4.29
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[2-(2,2-difluoroethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119814462
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119399997
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119864468
5-methyl-1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819418

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119680433) is 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1cccc(Oc2ccccc2NC(=O)c2nnn(C3CCNCC3)c2C)c1.Cl.
What is the InChIKey of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is ZOAVAIWCIRFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.ClH/c1-15-6-5-7-18(14-15)29-20-9-4-3-8-19(20)24-22(28)21-16(2)27(26-25-21)17-10-12-23-13-11-17;/h3-9,14,17,23H,10-13H2,1-2H3,(H,24,28);1H.
What are the key properties of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 427.94 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119680433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).