2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one

C14H19N3O2 — CID 92549020

IUPAC2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
SMILESCC(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C14H19N3O2/c1-10(18)16-8-6-12(7-9-16)17-14(19)5-4-13(15-17)11-2-3-11/h4-5,11-12H,2-3,6-9H2,1H3
InChIKeyBZABVRRKZQXYNU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds2

About 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one

2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one (PubChem CID 92549020) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
PubChem CID92549020
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
SMILESCC(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C14H19N3O2/c1-10(18)16-8-6-12(7-9-16)17-14(19)5-4-13(15-17)11-2-3-11/h4-5,11-12H,2-3,6-9H2,1H3
InChIKeyBZABVRRKZQXYNU-UHFFFAOYSA-N
XLogP1.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one (CID 92549020) is 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one is CC(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one?
The InChIKey is BZABVRRKZQXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)16-8-6-12(7-9-16)17-14(19)5-4-13(15-17)11-2-3-11/h4-5,11-12H,2-3,6-9H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one?
2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one has a molecular weight of 261.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 92549020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).