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

C16H26N4O4 — CID 53010371

IUPAC1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NCCOC)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O4/c1-4-20-13(10-14(21)18(2)16(20)23)19-8-5-6-12(11-19)15(22)17-7-9-24-3/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyPIWRUOZNZAJTNH-UHFFFAOYSA-N
MW338.41 g/mol
LogP-0.45
Rot. Bonds6

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

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 53010371) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID53010371
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NCCOC)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O4/c1-4-20-13(10-14(21)18(2)16(20)23)19-8-5-6-12(11-19)15(22)17-7-9-24-3/h10,12H,4-9,11H2,1-3H3,(H,17,22)
InChIKeyPIWRUOZNZAJTNH-UHFFFAOYSA-N
XLogP-0.45
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-0.45
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-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 53010371) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is CCn1c(N2CCCC(C(=O)NCCOC)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is PIWRUOZNZAJTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-4-20-13(10-14(21)18(2)16(20)23)19-8-5-6-12(11-19)15(22)17-7-9-24-3/h10,12H,4-9,11H2,1-3H3,(H,17,22).
What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53010371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).