2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C21H24N4O2 — CID 56752225

IUPAC2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C2(O)CCN(Cc3cc(=O)n4ccc(C)cc4n3)CC2)nc1
InChIInChI=1S/C21H24N4O2/c1-15-5-8-25-19(11-15)23-17(12-20(25)26)14-24-9-6-21(27,7-10-24)18-4-3-16(2)13-22-18/h3-5,8,11-13,27H,6-7,9-10,14H2,1-2H3
InChIKeyXJPGZXPMHOYDIZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.19
Rot. Bonds3

About 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 56752225) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID56752225
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(C2(O)CCN(Cc3cc(=O)n4ccc(C)cc4n3)CC2)nc1
InChIInChI=1S/C21H24N4O2/c1-15-5-8-25-19(11-15)23-17(12-20(25)26)14-24-9-6-21(27,7-10-24)18-4-3-16(2)13-22-18/h3-5,8,11-13,27H,6-7,9-10,14H2,1-2H3
InChIKeyXJPGZXPMHOYDIZ-UHFFFAOYSA-N
XLogP2.19
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

7-Benzyl-4-hydroxy-1-methyl-3-(morpholine-4-carbonyl)-1,5-naphthyridin-2-one
CID 54729993
6-(1-(3-Allyl-2-hydroxybenzyl)piperidin-4-yl)-2-(pyridin-2-yl)pyrimidin-4(1H)-one
CID 135857467
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
US11807646, Example 197
CID 139375593
1-(6-Hydroxy-5-{[4-hydroxy-4-(5-methyl-2-pyridinyl)-1-piperidinyl]carbonyl}-2-methyl-3-pyridinyl)ethanone
CID 56743832
5-{2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 56751375
Tert-butyl 4-hydroxy-4-(4-methyl-2-pyridinyl)piperidine-1-carboxylate
CID 69534628
N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16674320
N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16674640
3-{[4-Hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]carbonyl}-6-(trifluoromethyl)pyridin-2-ol
CID 56738957

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 56752225) is 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(C2(O)CCN(Cc3cc(=O)n4ccc(C)cc4n3)CC2)nc1.
What is the InChIKey of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XJPGZXPMHOYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-5-8-25-19(11-15)23-17(12-20(25)26)14-24-9-6-21(27,7-10-24)18-4-3-16(2)13-22-18/h3-5,8,11-13,27H,6-7,9-10,14H2,1-2H3.
What are the key properties of 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56752225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).