5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one

C15H24N4O2 — CID 90540615

IUPAC5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-4-13(20)18-9-7-11(8-10-18)14-16-17(2)15(21)19(14)12-5-6-12/h11-12H,3-10H2,1-2H3
InChIKeySVXJWBAEWMVASL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.42
Rot. Bonds4

About 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one

5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 90540615) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
PubChem CID90540615
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-4-13(20)18-9-7-11(8-10-18)14-16-17(2)15(21)19(14)12-5-6-12/h11-12H,3-10H2,1-2H3
InChIKeySVXJWBAEWMVASL-UHFFFAOYSA-N
XLogP1.42
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (CID 90540615) is 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is CCCC(=O)N1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is SVXJWBAEWMVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-13(20)18-9-7-11(8-10-18)14-16-17(2)15(21)19(14)12-5-6-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 292.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butanoylpiperidin-4-yl)-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 90540615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).