N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide

C20H27N5O3 — CID 29258547

IUPACN-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C2CCN(C(=O)Cc3cccc(C)c3)CC2)nn1
InChIInChI=1S/C20H27N5O3/c1-15-4-3-5-16(12-15)13-19(26)24-9-6-17(7-10-24)25-14-18(22-23-25)20(27)21-8-11-28-2/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,21,27)
InChIKeyMJHTWBNDSFEMLR-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.37
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide

N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 29258547) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID29258547
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C2CCN(C(=O)Cc3cccc(C)c3)CC2)nn1
InChIInChI=1S/C20H27N5O3/c1-15-4-3-5-16(12-15)13-19(26)24-9-6-17(7-10-24)25-14-18(22-23-25)20(27)21-8-11-28-2/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,21,27)
InChIKeyMJHTWBNDSFEMLR-UHFFFAOYSA-N
XLogP1.37
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 45250926
1-[(3R)-1-[2-(4-chlorophenyl)acetyl]piperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 26398605
N-[2-(2,6-dimethylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734919
2-(3-methylphenyl)-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99986480
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56711997
2-(3-methylphenyl)-1-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891904
2-(3-methylphenyl)-1-[4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]ethanone
CID 91891951
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide (CID 29258547) is N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide is COCCNC(=O)c1cn(C2CCN(C(=O)Cc3cccc(C)c3)CC2)nn1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is MJHTWBNDSFEMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-4-3-5-16(12-15)13-19(26)24-9-6-17(7-10-24)25-14-18(22-23-25)20(27)21-8-11-28-2/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,21,27).
What are the key properties of N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide?
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 29258547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).