3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C13H20N4O3 — CID 119491896

IUPAC3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCNC1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1
InChIInChI=1S/C13H20N4O3/c1-14-10-4-3-6-16(8-10)12(19)9-17-7-5-11(18)15(2)13(17)20/h5,7,10,14H,3-4,6,8-9H2,1-2H3
InChIKeyKOPUBNGWWLLUBN-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.24
Rot. Bonds3

About 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 119491896) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID119491896
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCNC1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1
InChIInChI=1S/C13H20N4O3/c1-14-10-4-3-6-16(8-10)12(19)9-17-7-5-11(18)15(2)13(17)20/h5,7,10,14H,3-4,6,8-9H2,1-2H3
InChIKeyKOPUBNGWWLLUBN-UHFFFAOYSA-N
XLogP-1.24
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119493465
3-methyl-1-[2-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95606427
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308
3-methyl-1-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95779140
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119647142
1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124590048
1-[2-(3,5-dimethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119564572
1-[2-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124692158
N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 32568404
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 97024370
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119468653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 119491896) is 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is CNC1CCCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1.
What is the InChIKey of 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is KOPUBNGWWLLUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-14-10-4-3-6-16(8-10)12(19)9-17-7-5-11(18)15(2)13(17)20/h5,7,10,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 119491896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).