3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C18H28N4O4 — CID 56886124

IUPAC3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-13(21-7-9-26-10-8-21)14-3-5-22(6-4-14)16(23)11-15-12-19-18(25)20(2)17(15)24/h12-14H,3-11H2,1-2H3,(H,19,25)
InChIKeyPZGPBVKOUPJDTE-UHFFFAOYSA-N
MW364.45 g/mol
LogP-0.42
Rot. Bonds4

About 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 56886124) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID56886124
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1
InChIInChI=1S/C18H28N4O4/c1-13(21-7-9-26-10-8-21)14-3-5-22(6-4-14)16(23)11-15-12-19-18(25)20(2)17(15)24/h12-14H,3-11H2,1-2H3,(H,19,25)
InChIKeyPZGPBVKOUPJDTE-UHFFFAOYSA-N
XLogP-0.42
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-N-(3-morpholinopropyl)-4-piperidinecarboxamide
CID 46381269
5-[2-(1'-methyl-4,4'-bipiperidin-1-yl)-2-oxoethyl]-2,4(1H,3H)-pyrimidinedione
CID 72875435
6-methyl-5-(2-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-2-oxoethyl)-2,4(1H,3H)-pyrimidinedione
CID 56882619
5-methyl-1-(2-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-2-oxoethyl)-2,4(1H,3H)-pyrimidinedione
CID 56912105
5-(2-{4-[1-(dimethylamino)ethyl]-1-piperidinyl}-2-oxoethyl)-2,4(1H,3H)-pyrimidinedione
CID 70712443
3-methyl-5-{2-[2-(4-morpholinylmethyl)-1-piperidinyl]-2-oxoethyl}-2,4(1H,3H)-pyrimidinedione
CID 70764776
5-{2-[(3S)-3-ethylmorpholin-4-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 70778511
5-{2-[3-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}pyrimidine-2,4(1H,3H)-dione
CID 77094576
3-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95873831
3-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95873832
6-methyl-5-[2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95873893
6-methyl-5-[2-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95873894

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 56886124) is 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC(C1CCN(C(=O)Cc2c[nH]c(=O)n(C)c2=O)CC1)N1CCOCC1.
What is the InChIKey of 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PZGPBVKOUPJDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13(21-7-9-26-10-8-21)14-3-5-22(6-4-14)16(23)11-15-12-19-18(25)20(2)17(15)24/h12-14H,3-11H2,1-2H3,(H,19,25).
What are the key properties of 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 56886124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).