5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one

C15H24N4O2 — CID 71793147

IUPAC5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one
SMILESCC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(20)18-9-7-12(8-10-18)14-16-17(2)15(21)19(14)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3
InChIKeyRFTXTAFWLUTKFU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds2

About 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one

5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 71793147) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one
PubChem CID71793147
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one
SMILESCC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C15H24N4O2/c1-11(20)18-9-7-12(8-10-18)14-16-17(2)15(21)19(14)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3
InChIKeyRFTXTAFWLUTKFU-UHFFFAOYSA-N
XLogP1.42
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one (CID 71793147) is 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one is CC(=O)N1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1.
What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is RFTXTAFWLUTKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(20)18-9-7-12(8-10-18)14-16-17(2)15(21)19(14)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3.
What are the key properties of 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one?
5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 292.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-4-yl)-4-cyclopentyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 71793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).