3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C19H28N4O2 — CID 126941389

IUPAC3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCN(C4CC4)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C19H28N4O2/c1-13-14(2)20-12-22(18(13)24)11-15-5-8-21(9-6-15)17-7-10-23(19(17)25)16-3-4-16/h12,15-17H,3-11H2,1-2H3
InChIKeyIQEDTBKSOUZHMW-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.34
Rot. Bonds4

About 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941389) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941389
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C3CCN(C4CC4)C3=O)CC2)c(=O)c1C
InChIInChI=1S/C19H28N4O2/c1-13-14(2)20-12-22(18(13)24)11-15-5-8-21(9-6-15)17-7-10-23(19(17)25)16-3-4-16/h12,15-17H,3-11H2,1-2H3
InChIKeyIQEDTBKSOUZHMW-UHFFFAOYSA-N
XLogP1.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-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
5,6-Dimethyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941372
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
3-{[1-(1-Cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944095
6-(Difluoromethyl)-3-{[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944096
6-[(1-isopropyl-4-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72926970
1-(1-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetyl)azetidin-3-yl)piperidine-4-carboxamide
CID 121154055
7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 126797491

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941389) is 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(C3CCN(C4CC4)C3=O)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is IQEDTBKSOUZHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-14(2)20-12-22(18(13)24)11-15-5-8-21(9-6-15)17-7-10-23(19(17)25)16-3-4-16/h12,15-17H,3-11H2,1-2H3.
What are the key properties of 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 344.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).