5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C17H26N4O2 — CID 126940905

IUPAC5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCC(=O)N3C)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-9-18-12-21(17(13)23)10-14-5-7-20(8-6-14)11-15-3-4-16(22)19(15)2/h9,12,14-15H,3-8,10-11H2,1-2H3
InChIKeyCFTAWDAYGSZIES-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.88
Rot. Bonds4

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

5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940905) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940905
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCC(=O)N3C)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-13-9-18-12-21(17(13)23)10-14-5-7-20(8-6-14)11-15-3-4-16(22)19(15)2/h9,12,14-15H,3-8,10-11H2,1-2H3
InChIKeyCFTAWDAYGSZIES-UHFFFAOYSA-N
XLogP0.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]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
6-(Difluoromethyl)-3-({1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944088
5-Methyl-3-{[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940651
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940714
5-Methyl-3-({1-[2-(pyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940720
5-Methyl-3-({1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940723
1-Methyl-7-({4-[(5-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126940793
5-Methyl-3-({1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940794
3-({1-[(1-Acetylpyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940895
1-(2-{4-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}ethyl)azepan-2-one
CID 126940902
5-Methyl-3-({1-[2-(2-oxopiperidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940903
5-Methyl-3-({1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940904

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940905) is 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CC3CCC(=O)N3C)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is CFTAWDAYGSZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-9-18-12-21(17(13)23)10-14-5-7-20(8-6-14)11-15-3-4-16(22)19(15)2/h9,12,14-15H,3-8,10-11H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.88, 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-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).