5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C18H28N4O2 — CID 126940908

IUPAC5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCN(C(C)C)C3=O)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-13(2)22-9-6-16(18(22)24)20-7-4-15(5-8-20)11-21-12-19-10-14(3)17(21)23/h10,12-13,15-16H,4-9,11H2,1-3H3
InChIKeyKKHBJTLQNZHVCI-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.27
Rot. Bonds4

About 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940908) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940908
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C3CCN(C(C)C)C3=O)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-13(2)22-9-6-16(18(22)24)20-7-4-15(5-8-20)11-21-12-19-10-14(3)17(21)23/h10,12-13,15-16H,4-9,11H2,1-3H3
InChIKeyKKHBJTLQNZHVCI-UHFFFAOYSA-N
XLogP1.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

5-Methyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940897
5,6-Dimethyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941372
6-(Difluoromethyl)-3-({1-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944090
6-(Difluoromethyl)-3-{[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944096
3-({1-[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944973
5-Methyl-3-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]-3,4-dihydropyrimidin-4-one
CID 126857595
5-Methyl-3-{[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940651
5-Methyl-3-({1-[2-(pyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940720
3-({1-[(1-Acetylpyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940895
5-Methyl-3-({1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940904
5-Methyl-3-({1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940905
1-Methyl-3-{4-[(5-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}azepan-2-one
CID 126940910

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940908) is 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C3CCN(C(C)C)C3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is KKHBJTLQNZHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)22-9-6-16(18(22)24)20-7-4-15(5-8-20)11-21-12-19-10-14(3)17(21)23/h10,12-13,15-16H,4-9,11H2,1-3H3.
What are the key properties of 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.45 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).