2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one

C15H26N4O2 — CID 90541132

IUPAC2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)C(=O)N1CCCC(c2nn(C)c(=O)n2C(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-10(2)14(20)18-8-6-7-12(9-18)13-16-17(5)15(21)19(13)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyMNNVTBPQHUWQSA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.52
Rot. Bonds3

About 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one

2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 90541132) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID90541132
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)C(=O)N1CCCC(c2nn(C)c(=O)n2C(C)C)C1
InChIInChI=1S/C15H26N4O2/c1-10(2)14(20)18-8-6-7-12(9-18)13-16-17(5)15(21)19(13)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyMNNVTBPQHUWQSA-UHFFFAOYSA-N
XLogP1.52
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one (CID 90541132) is 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)C(=O)N1CCCC(c2nn(C)c(=O)n2C(C)C)C1.
What is the InChIKey of 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is MNNVTBPQHUWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)14(20)18-8-6-7-12(9-18)13-16-17(5)15(21)19(13)11(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one?
2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 294.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(2-methylpropanoyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 90541132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).