2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

C14H25N5O2 — CID 120642686

IUPAC2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCCCCOCC(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C14H25N5O2/c1-3-4-9-21-10-12(20)16-14-17-13(18-19(14)2)11-5-7-15-8-6-11/h11,15H,3-10H2,1-2H3,(H,16,17,18,20)
InChIKeyWHGSMXBKLGICLW-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.04
Rot. Bonds7

About 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 120642686) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID120642686
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCCCCOCC(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C14H25N5O2/c1-3-4-9-21-10-12(20)16-14-17-13(18-19(14)2)11-5-7-15-8-6-11/h11,15H,3-10H2,1-2H3,(H,16,17,18,20)
InChIKeyWHGSMXBKLGICLW-UHFFFAOYSA-N
XLogP1.04
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (CID 120642686) is 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is CCCCOCC(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WHGSMXBKLGICLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-4-9-21-10-12(20)16-14-17-13(18-19(14)2)11-5-7-15-8-6-11/h11,15H,3-10H2,1-2H3,(H,16,17,18,20).
What are the key properties of 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 120642686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).