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

C17H28N4O4 — CID 46381363

IUPAC1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NCCCOC)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H28N4O4/c1-4-21-14(12-15(22)19(2)17(21)24)20-9-6-13(7-10-20)16(23)18-8-5-11-25-3/h12-13H,4-11H2,1-3H3,(H,18,23)
InChIKeyISSKNIIOCGEWPR-UHFFFAOYSA-N
MW352.44 g/mol
LogP-0.06
Rot. Bonds7

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

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 46381363) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID46381363
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCCn1c(N2CCC(C(=O)NCCCOC)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H28N4O4/c1-4-21-14(12-15(22)19(2)17(21)24)20-9-6-13(7-10-20)16(23)18-8-5-11-25-3/h12-13H,4-11H2,1-3H3,(H,18,23)
InChIKeyISSKNIIOCGEWPR-UHFFFAOYSA-N
XLogP-0.06
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 5-0.06
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-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 46381363) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide is CCn1c(N2CCC(C(=O)NCCCOC)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is ISSKNIIOCGEWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-4-21-14(12-15(22)19(2)17(21)24)20-9-6-13(7-10-20)16(23)18-8-5-11-25-3/h12-13H,4-11H2,1-3H3,(H,18,23).
What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of -0.06, 7 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-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46381363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).