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

C17H26N4O2 — CID 126944982

IUPAC3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)N1CCC(N2CCC(Cn3cnccc3=O)CC2)C1=O
InChIInChI=1S/C17H26N4O2/c1-13(2)21-10-6-15(17(21)23)19-8-4-14(5-9-19)11-20-12-18-7-3-16(20)22/h3,7,12-15H,4-6,8-11H2,1-2H3
InChIKeyCJTNIDMGJZDYBZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.96
Rot. Bonds4

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

3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944982) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944982
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)N1CCC(N2CCC(Cn3cnccc3=O)CC2)C1=O
InChIInChI=1S/C17H26N4O2/c1-13(2)21-10-6-15(17(21)23)19-8-4-14(5-9-19)11-20-12-18-7-3-16(20)22/h3,7,12-15H,4-6,8-11H2,1-2H3
InChIKeyCJTNIDMGJZDYBZ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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

3-(2-{4-[4-(Fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl}ethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 126899825
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-Cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943679
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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944080
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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944982) is 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)N1CCC(N2CCC(Cn3cnccc3=O)CC2)C1=O.
What is the InChIKey of 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is CJTNIDMGJZDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(2)21-10-6-15(17(21)23)19-8-4-14(5-9-19)11-20-12-18-7-3-16(20)22/h3,7,12-15H,4-6,8-11H2,1-2H3.
What are the key properties of 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).