5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H24N4O3 — CID 126940651

IUPAC5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)c1=O
InChIInChI=1S/C17H24N4O3/c1-12-8-18-11-21(16(12)23)9-13-3-5-20(6-4-13)17(24)14-7-15(22)19(2)10-14/h8,11,13-14H,3-7,9-10H2,1-2H3
InChIKeyILFFFLVFZXKGAU-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.27
Rot. Bonds3

About 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940651) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940651
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)c1=O
InChIInChI=1S/C17H24N4O3/c1-12-8-18-11-21(16(12)23)9-13-3-5-20(6-4-13)17(24)14-7-15(22)19(2)10-14/h8,11,13-14H,3-7,9-10H2,1-2H3
InChIKeyILFFFLVFZXKGAU-UHFFFAOYSA-N
XLogP0.27
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)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
2-methyl-5-(2-oxo-2-{4-[2-(2-oxo-1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70769103
3-[(1-Cyclopropanecarbonylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940584
3-[(1-Cyclobutanecarbonylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940601
5-Methyl-3-{[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940631
5-Methyl-3-({1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940650
5-Methyl-3-{[1-(pyrrolidine-1-sulfonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940681
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
3-({1-[(1-Acetylpiperidin-3-yl)methyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940896
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940651) is 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(C(=O)C3CC(=O)N(C)C3)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ILFFFLVFZXKGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-8-18-11-21(16(12)23)9-13-3-5-20(6-4-13)17(24)14-7-15(22)19(2)10-14/h8,11,13-14H,3-7,9-10H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 332.40 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).