2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide

C16H27N5O3 — CID 90542935

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C16H27N5O3/c1-19-16(23)21(13-3-4-13)15(18-19)12-5-8-20(9-6-12)11-14(22)17-7-10-24-2/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyZCVDZRIJIUFVFI-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.14
Rot. Bonds7

About 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 90542935) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID90542935
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C16H27N5O3/c1-19-16(23)21(13-3-4-13)15(18-19)12-5-8-20(9-6-12)11-14(22)17-7-10-24-2/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyZCVDZRIJIUFVFI-UHFFFAOYSA-N
XLogP-0.14
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.14
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide (CID 90542935) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is ZCVDZRIJIUFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-19-16(23)21(13-3-4-13)15(18-19)12-5-8-20(9-6-12)11-14(22)17-7-10-24-2/h12-13H,3-11H2,1-2H3,(H,17,22).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 90542935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).