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

C17H26N4O4 — CID 70764776

IUPAC3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCCCC2CN2CCOCC2)c1=O
InChIInChI=1S/C17H26N4O4/c1-19-16(23)13(11-18-17(19)24)10-15(22)21-5-3-2-4-14(21)12-20-6-8-25-9-7-20/h11,14H,2-10,12H2,1H3,(H,18,24)
InChIKeyXNOVOTHCYNTBQT-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.67
Rot. Bonds4

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

3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70764776) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID70764776
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCCCC2CN2CCOCC2)c1=O
InChIInChI=1S/C17H26N4O4/c1-19-16(23)13(11-18-17(19)24)10-15(22)21-5-3-2-4-14(21)12-20-6-8-25-9-7-20/h11,14H,2-10,12H2,1H3,(H,18,24)
InChIKeyXNOVOTHCYNTBQT-UHFFFAOYSA-N
XLogP-0.67
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 70764776) is 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCCCC2CN2CCOCC2)c1=O.
What is the InChIKey of 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XNOVOTHCYNTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-19-16(23)13(11-18-17(19)24)10-15(22)21-5-3-2-4-14(21)12-20-6-8-25-9-7-20/h11,14H,2-10,12H2,1H3,(H,18,24).
What are the key properties of 3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of -0.67, 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-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70764776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).