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

C15H24N4O2 — CID 90541139

IUPAC5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCCN(C(=O)C3CC3)C2)nn(C)c1=O
InChIInChI=1S/C15H24N4O2/c1-10(2)19-13(16-17(3)15(19)21)12-5-4-8-18(9-12)14(20)11-6-7-11/h10-12H,4-9H2,1-3H3
InChIKeyMDOARFXREYQVMG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.28
Rot. Bonds3

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

5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 90541139) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID90541139
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCCN(C(=O)C3CC3)C2)nn(C)c1=O
InChIInChI=1S/C15H24N4O2/c1-10(2)19-13(16-17(3)15(19)21)12-5-4-8-18(9-12)14(20)11-6-7-11/h10-12H,4-9H2,1-3H3
InChIKeyMDOARFXREYQVMG-UHFFFAOYSA-N
XLogP1.28
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (CID 90541139) is 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)n1c(C2CCCN(C(=O)C3CC3)C2)nn(C)c1=O.
What is the InChIKey of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is MDOARFXREYQVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)19-13(16-17(3)15(19)21)12-5-4-8-18(9-12)14(20)11-6-7-11/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 292.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 90541139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).