4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione

C11H15N3O3 — CID 162482091

IUPAC4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione
SMILESCC(=O)N1CCC(c2cc(=O)[nH][nH]c2=O)CC1
InChIInChI=1S/C11H15N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h6,8H,2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyXFGSSYUPOVOUBY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.21
Rot. Bonds1

About 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione

4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione (PubChem CID 162482091) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione
PubChem CID162482091
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione
SMILESCC(=O)N1CCC(c2cc(=O)[nH][nH]c2=O)CC1
InChIInChI=1S/C11H15N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h6,8H,2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyXFGSSYUPOVOUBY-UHFFFAOYSA-N
XLogP-0.21
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 72154521
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CID 123704288
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CID 141135370
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CID 162482077
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CID 166847865
CID 166847865
CID 169829478
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CID 169836428
CID 169836428
CID 53520680
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CID 94215565
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CID 143218053
CID 143218053

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione (CID 162482091) is 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione is CC(=O)N1CCC(c2cc(=O)[nH][nH]c2=O)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione?
The InChIKey is XFGSSYUPOVOUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h6,8H,2-5H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione?
4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 162482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).