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

C17H26N4O2 — CID 126940904

IUPAC5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCN3CCCC3=O)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-14-11-18-13-21(17(14)23)12-15-4-7-19(8-5-15)9-10-20-6-2-3-16(20)22/h11,13,15H,2-10,12H2,1H3
InChIKeyWTNCMWPCOUAYMQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.89
Rot. Bonds5

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

5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940904) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940904
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1cncn(CC2CCN(CCN3CCCC3=O)CC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-14-11-18-13-21(17(14)23)12-15-4-7-19(8-5-15)9-10-20-6-2-3-16(20)22/h11,13,15H,2-10,12H2,1H3
InChIKeyWTNCMWPCOUAYMQ-UHFFFAOYSA-N
XLogP0.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]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
3-[(1-Cyclopropanecarbonylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940584
3-[(1-Cyclopentanecarbonylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940585
3-[(1-Cyclobutanecarbonylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940601
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-(pyrrolidine-1-sulfonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940681
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940714
5-Methyl-3-{[1-(2-methylpropyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940716
5-Methyl-3-({1-[2-(piperidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940719
5-Methyl-3-({1-[2-(pyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940720
3-({1-[2-(Azepan-1-yl)ethyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940776
5-Methyl-3-({1-[2-(2-oxo-1,2-dihydropyrazin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940810

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940904) is 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1cncn(CC2CCN(CCN3CCCC3=O)CC2)c1=O.
What is the InChIKey of 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is WTNCMWPCOUAYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14-11-18-13-21(17(14)23)12-15-4-7-19(8-5-15)9-10-20-6-2-3-16(20)22/h11,13,15H,2-10,12H2,1H3.
What are the key properties of 5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.89, 5 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-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).