3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C19H24N4O3 — CID 126942023

IUPAC3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1
InChIInChI=1S/C19H24N4O3/c1-13(2)16-9-18(25)23(12-21-16)11-14-5-7-22(8-6-14)19(26)15-3-4-17(24)20-10-15/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,20,24)
InChIKeyNQAGATORUKOIAE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.61
Rot. Bonds4

About 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942023) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942023
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1
InChIInChI=1S/C19H24N4O3/c1-13(2)16-9-18(25)23(12-21-16)11-14-5-7-22(8-6-14)19(26)15-3-4-17(24)20-10-15/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,20,24)
InChIKeyNQAGATORUKOIAE-UHFFFAOYSA-N
XLogP1.61
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

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Related Compounds

6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942069
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942009
3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942015
3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942014
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126941992
6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943804
6-(difluoromethyl)-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943865
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942335
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942023) is 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cn1.
What is the InChIKey of 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is NQAGATORUKOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(2)16-9-18(25)23(12-21-16)11-14-5-7-22(8-6-14)19(26)15-3-4-17(24)20-10-15/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,20,24).
What are the key properties of 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).