1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

C15H24N4O4 — CID 53010384

IUPAC1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C15H24N4O4/c1-17-12(9-13(20)18(2)15(17)22)19-7-4-5-11(10-19)14(21)16-6-8-23-3/h9,11H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyOMXIDTDMIGZYHW-UHFFFAOYSA-N
MW324.38 g/mol
LogP-0.94
Rot. Bonds5

About 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 53010384) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID53010384
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C15H24N4O4/c1-17-12(9-13(20)18(2)15(17)22)19-7-4-5-11(10-19)14(21)16-6-8-23-3/h9,11H,4-8,10H2,1-3H3,(H,16,21)
InChIKeyOMXIDTDMIGZYHW-UHFFFAOYSA-N
XLogP-0.94
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 53010384) is 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(c2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is OMXIDTDMIGZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-17-12(9-13(20)18(2)15(17)22)19-7-4-5-11(10-19)14(21)16-6-8-23-3/h9,11H,4-8,10H2,1-3H3,(H,16,21).
What are the key properties of 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).