5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride

C19H28ClN5O2 — CID 120892061

IUPAC5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCc1nc(C(=O)NCC2(COC)CCNCC2)nn1-c1ccccc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-3-16-22-17(23-24(16)15-7-5-4-6-8-15)18(25)21-13-19(14-26-2)9-11-20-12-10-19;/h4-8,20H,3,9-14H2,1-2H3,(H,21,25);1H
InChIKeyCPJXQWVAAJFNMC-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.00
Rot. Bonds7

About 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride

5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 120892061) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID120892061
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCc1nc(C(=O)NCC2(COC)CCNCC2)nn1-c1ccccc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-3-16-22-17(23-24(16)15-7-5-4-6-8-15)18(25)21-13-19(14-26-2)9-11-20-12-10-19;/h4-8,20H,3,9-14H2,1-2H3,(H,21,25);1H
InChIKeyCPJXQWVAAJFNMC-UHFFFAOYSA-N
XLogP2.00
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120892003
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 120891092
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 120889437
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120890222
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120891073
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride (CID 120892061) is 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride is CCc1nc(C(=O)NCC2(COC)CCNCC2)nn1-c1ccccc1.Cl.
What is the InChIKey of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is CPJXQWVAAJFNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-3-16-22-17(23-24(16)15-7-5-4-6-8-15)18(25)21-13-19(14-26-2)9-11-20-12-10-19;/h4-8,20H,3,9-14H2,1-2H3,(H,21,25);1H.
What are the key properties of 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride?
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120892061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).