2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide

C18H25N5O2 — CID 87052238

IUPAC2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCCC1c1nncn1Cc1ccccc1
InChIInChI=1S/C18H25N5O2/c1-25-12-10-19-18(24)23-11-6-5-9-16(23)17-21-20-14-22(17)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,24)
InChIKeyPWSBHQPHOGDZDY-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.21
Rot. Bonds6

About 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide

2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 87052238) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID87052238
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCCC1c1nncn1Cc1ccccc1
InChIInChI=1S/C18H25N5O2/c1-25-12-10-19-18(24)23-11-6-5-9-16(23)17-21-20-14-22(17)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,24)
InChIKeyPWSBHQPHOGDZDY-UHFFFAOYSA-N
XLogP2.21
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 87052238) is 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCCCC1c1nncn1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is PWSBHQPHOGDZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-25-12-10-19-18(24)23-11-6-5-9-16(23)17-21-20-14-22(17)13-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,19,24).
What are the key properties of 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-1,2,4-triazol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 87052238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).