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

C18H28N4O4 — CID 56912105

IUPAC5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC(C(C)N3CCOCC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-13-11-22(18(25)19-17(13)24)12-16(23)21-5-3-15(4-6-21)14(2)20-7-9-26-10-8-20/h11,14-15H,3-10,12H2,1-2H3,(H,19,24,25)
InChIKeyUKIWJPGBXDAESQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP-0.20
Rot. Bonds4

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

5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 56912105) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID56912105
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC(C(C)N3CCOCC3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-13-11-22(18(25)19-17(13)24)12-16(23)21-5-3-15(4-6-21)14(2)20-7-9-26-10-8-20/h11,14-15H,3-10,12H2,1-2H3,(H,19,24,25)
InChIKeyUKIWJPGBXDAESQ-UHFFFAOYSA-N
XLogP-0.20
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 ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 56912105) is 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC(C(C)N3CCOCC3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is UKIWJPGBXDAESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-13-11-22(18(25)19-17(13)24)12-16(23)21-5-3-15(4-6-21)14(2)20-7-9-26-10-8-20/h11,14-15H,3-10,12H2,1-2H3,(H,19,24,25).
What are the key properties of 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 364.45 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56912105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).