5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione

C12H17N3O3 — CID 60734697

IUPAC5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-9-7-15(12(18)13-11(9)17)8-10(16)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,13,17,18)
InChIKeyPKZNFBFSPSQIIR-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.14
Rot. Bonds2

About 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione

5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 60734697) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID60734697
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O3/c1-9-7-15(12(18)13-11(9)17)8-10(16)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,13,17,18)
InChIKeyPKZNFBFSPSQIIR-UHFFFAOYSA-N
XLogP-0.14
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione (CID 60734697) is 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is PKZNFBFSPSQIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-7-15(12(18)13-11(9)17)8-10(16)14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,13,17,18).
What are the key properties of 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60734697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).