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

C15H22N4O2 — CID 126944988

IUPAC3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCC(N2CCC(Cn3cnccc3=O)CC2)C1=O
InChIInChI=1S/C15H22N4O2/c1-17-7-5-13(15(17)21)18-8-3-12(4-9-18)10-19-11-16-6-2-14(19)20/h2,6,11-13H,3-5,7-10H2,1H3
InChIKeyURZBSQGYWAVTKS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.19
Rot. Bonds3

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

3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944988) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944988
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCC(N2CCC(Cn3cnccc3=O)CC2)C1=O
InChIInChI=1S/C15H22N4O2/c1-17-7-5-13(15(17)21)18-8-3-12(4-9-18)10-19-11-16-6-2-14(19)20/h2,6,11-13H,3-5,7-10H2,1H3
InChIKeyURZBSQGYWAVTKS-UHFFFAOYSA-N
XLogP0.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[2-Oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943673
3-{[1-(1-Methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943680
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
1-(2-(6-oxopyrimidin-1(6H)-yl)acetyl)piperidine-4-carboxamide
CID 121064099
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
5-Methyl-3-({1-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940908
5-Methyl-3-{[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940913

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944988) is 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is CN1CCC(N2CCC(Cn3cnccc3=O)CC2)C1=O.
What is the InChIKey of 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is URZBSQGYWAVTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-7-5-13(15(17)21)18-8-3-12(4-9-18)10-19-11-16-6-2-14(19)20/h2,6,11-13H,3-5,7-10H2,1H3.
What are the key properties of 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).