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

C18H30N4O4 — CID 46381376

IUPACN-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cc(=O)n(C)c(=O)n2CC)CC1
InChIInChI=1S/C18H30N4O4/c1-4-22-15(13-16(23)20(3)18(22)25)21-10-7-14(8-11-21)17(24)19-9-6-12-26-5-2/h13-14H,4-12H2,1-3H3,(H,19,24)
InChIKeyUPHFXXWNKRFJFX-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.33
Rot. Bonds8

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

N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46381376) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46381376
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC NameN-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2cc(=O)n(C)c(=O)n2CC)CC1
InChIInChI=1S/C18H30N4O4/c1-4-22-15(13-16(23)20(3)18(22)25)21-10-7-14(8-11-21)17(24)19-9-6-12-26-5-2/h13-14H,4-12H2,1-3H3,(H,19,24)
InChIKeyUPHFXXWNKRFJFX-UHFFFAOYSA-N
XLogP0.33
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.33
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 N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide (CID 46381376) is N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2cc(=O)n(C)c(=O)n2CC)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is UPHFXXWNKRFJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-4-22-15(13-16(23)20(3)18(22)25)21-10-7-14(8-11-21)17(24)19-9-6-12-26-5-2/h13-14H,4-12H2,1-3H3,(H,19,24).
What are the key properties of N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46381376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).