3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

C16H18N4O3 — CID 56746933

IUPAC3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nc1
InChIInChI=1S/C16H18N4O3/c1-11-2-4-13(17-10-11)16(23)6-8-20(9-7-16)15(22)12-3-5-14(21)19-18-12/h2-5,10,23H,6-9H2,1H3,(H,19,21)
InChIKeyAKQIBIZXWTYJRW-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.60
Rot. Bonds2

About 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 56746933) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID56746933
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nc1
InChIInChI=1S/C16H18N4O3/c1-11-2-4-13(17-10-11)16(23)6-8-20(9-7-16)15(22)12-3-5-14(21)19-18-12/h2-5,10,23H,6-9H2,1H3,(H,19,21)
InChIKeyAKQIBIZXWTYJRW-UHFFFAOYSA-N
XLogP0.60
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-{3-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-3-oxopropyl}-6-methylpyridin-2(1H)-one
CID 56740105
1-{3-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-3-oxopropyl}pyrimidine-2,4(1H,3H)-dione
CID 56747565
1-{2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56756025
2-(4-Fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668074
9-Fluoro-1-hydroxy-5-methyl-3-oxo-6,7-dihydro-3h,5h-pyrido[3,2,1-ij]quinoline-2-carboxylic acid pyridin-2-ylmethylidenehydrazide
CID 76173244
1-[4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzoyl]-4-pyridin-2-ylpiperidin-4-ol
CID 50978825
1-BU-4-HO-2-Oxo-N'-(3-pyridinylmethylene)-1,2-dihydro-3-quinolinecarbohydrazide
CID 54737415
1-(6-Hydroxy-5-{[4-hydroxy-4-(5-methyl-2-pyridinyl)-1-piperidinyl]carbonyl}-2-methyl-3-pyridinyl)ethanone
CID 56743832
1-(3-Cyclopentylalanyl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56750179
5-{2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 56751375
N-{1-(hydroxymethyl)-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}acetamide
CID 56760604
Tert-butyl 4-hydroxy-4-(4-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 69534628

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 56746933) is 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is Cc1ccc(C2(O)CCN(C(=O)c3ccc(=O)[nH]n3)CC2)nc1.
What is the InChIKey of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is AKQIBIZXWTYJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-2-4-13(17-10-11)16(23)6-8-20(9-7-16)15(22)12-3-5-14(21)19-18-12/h2-5,10,23H,6-9H2,1H3,(H,19,21).
What are the key properties of 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 314.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 56746933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).