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

C16H24N4O2 — CID 126944979

IUPAC3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCN1CCN1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C16H24N4O2/c21-15-2-1-7-19(15)11-10-18-8-4-14(5-9-18)12-20-13-17-6-3-16(20)22/h3,6,13-14H,1-2,4-5,7-12H2
InChIKeyOCIZMTXPFUUSBO-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.58
Rot. Bonds5

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

3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944979) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944979
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCN1CCN1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C16H24N4O2/c21-15-2-1-7-19(15)11-10-18-8-4-14(5-9-18)12-20-13-17-6-3-16(20)22/h3,6,13-14H,1-2,4-5,7-12H2
InChIKeyOCIZMTXPFUUSBO-UHFFFAOYSA-N
XLogP0.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-({1-[2-(2-Oxopyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943669
6-(Difluoromethyl)-3-({1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944087
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
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-[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
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-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126940915
3-[(1-Cyclopentanecarbonylpiperidin-4-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126944705

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944979) is 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CCCN1CCN1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OCIZMTXPFUUSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-2-1-7-19(15)11-10-18-8-4-14(5-9-18)12-20-13-17-6-3-16(20)22/h3,6,13-14H,1-2,4-5,7-12H2.
What are the key properties of 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).