2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide

C14H24N6O2 — CID 162637259

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)Cc2nc(N)n[nH]2)CC1
InChIInChI=1S/C14H24N6O2/c1-9(2)13(22)20-5-3-10(4-6-20)8-16-12(21)7-11-17-14(15)19-18-11/h9-10H,3-8H2,1-2H3,(H,16,21)(H3,15,17,18,19)
InChIKeyDHKVFDZVZBYWOD-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.06
Rot. Bonds5

About 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide

2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 162637259) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide
PubChem CID162637259
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)Cc2nc(N)n[nH]2)CC1
InChIInChI=1S/C14H24N6O2/c1-9(2)13(22)20-5-3-10(4-6-20)8-16-12(21)7-11-17-14(15)19-18-11/h9-10H,3-8H2,1-2H3,(H,16,21)(H3,15,17,18,19)
InChIKeyDHKVFDZVZBYWOD-UHFFFAOYSA-N
XLogP-0.06
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide (CID 162637259) is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide is CC(C)C(=O)N1CCC(CNC(=O)Cc2nc(N)n[nH]2)CC1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is DHKVFDZVZBYWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-9(2)13(22)20-5-3-10(4-6-20)8-16-12(21)7-11-17-14(15)19-18-11/h9-10H,3-8H2,1-2H3,(H,16,21)(H3,15,17,18,19).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide?
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 308.39 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 162637259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).