5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C18H28N4O3 — CID 56919229

IUPAC5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-12-10-22(11-13(2)25-12)16-4-6-21(7-5-16)17(23)8-15-9-19-14(3)20-18(15)24/h9,12-13,16H,4-8,10-11H2,1-3H3,(H,19,20,24)/t12-,13+
InChIKeyCQCACANNJIGDKH-BETUJISGSA-N
MW348.45 g/mol
LogP0.72
Rot. Bonds3

About 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 56919229) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID56919229
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H28N4O3/c1-12-10-22(11-13(2)25-12)16-4-6-21(7-5-16)17(23)8-15-9-19-14(3)20-18(15)24/h9,12-13,16H,4-8,10-11H2,1-3H3,(H,19,20,24)/t12-,13+
InChIKeyCQCACANNJIGDKH-BETUJISGSA-N
XLogP0.72
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 56919229) is 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CQCACANNJIGDKH-BETUJISGSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-10-22(11-13(2)25-12)16-4-6-21(7-5-16)17(23)8-15-9-19-14(3)20-18(15)24/h9,12-13,16H,4-8,10-11H2,1-3H3,(H,19,20,24)/t12-,13+.
What are the key properties of 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 56919229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).