5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C19H24N4O3 — CID 56740118

IUPAC5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(C2(O)CCN(C(=O)c3cnc(C(C)C)[nH]c3=O)CC2)nc1
InChIInChI=1S/C19H24N4O3/c1-12(2)16-21-11-14(17(24)22-16)18(25)23-8-6-19(26,7-9-23)15-5-4-13(3)10-20-15/h4-5,10-12,26H,6-9H2,1-3H3,(H,21,22,24)
InChIKeyXKYCSVQMNCAVJI-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.72
Rot. Bonds3

About 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56740118) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56740118
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1ccc(C2(O)CCN(C(=O)c3cnc(C(C)C)[nH]c3=O)CC2)nc1
InChIInChI=1S/C19H24N4O3/c1-12(2)16-21-11-14(17(24)22-16)18(25)23-8-6-19(26,7-9-23)15-5-4-13(3)10-20-15/h4-5,10-12,26H,6-9H2,1-3H3,(H,21,22,24)
InChIKeyXKYCSVQMNCAVJI-UHFFFAOYSA-N
XLogP1.72
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 58882931
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
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
1-{[2-(Methylamino)pyridin-3-yl]carbonyl}-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56750665
5-{2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 56751375
2-[4-Hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-6-methylnicotinamide
CID 56759980
N-{1-(hydroxymethyl)-2-[4-hydroxy-4-(5-methylpyridin-2-yl)piperidin-1-yl]-2-oxoethyl}acetamide
CID 56760604
3-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(4-isopropylphenyl)propanamide
CID 50954060
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 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 56740118) is 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is Cc1ccc(C2(O)CCN(C(=O)c3cnc(C(C)C)[nH]c3=O)CC2)nc1.
What is the InChIKey of 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XKYCSVQMNCAVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(2)16-21-11-14(17(24)22-16)18(25)23-8-6-19(26,7-9-23)15-5-4-13(3)10-20-15/h4-5,10-12,26H,6-9H2,1-3H3,(H,21,22,24).
What are the key properties of 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 356.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56740118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).