3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide

C13H20N4O4 — CID 62896427

IUPAC3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)NC2CCC(=O)NC2)C1=O
InChIInChI=1S/C13H20N4O4/c1-13(2)11(20)17(12(21)16-13)6-5-10(19)15-8-3-4-9(18)14-7-8/h8H,3-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,21)
InChIKeyIVPKPCKCNZKKNX-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.90
Rot. Bonds4

About 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 62896427) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID62896427
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)NC2CCC(=O)NC2)C1=O
InChIInChI=1S/C13H20N4O4/c1-13(2)11(20)17(12(21)16-13)6-5-10(19)15-8-3-4-9(18)14-7-8/h8H,3-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,21)
InChIKeyIVPKPCKCNZKKNX-UHFFFAOYSA-N
XLogP-0.90
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide (CID 62896427) is 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)NC2CCC(=O)NC2)C1=O.
What is the InChIKey of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is IVPKPCKCNZKKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-13(2)11(20)17(12(21)16-13)6-5-10(19)15-8-3-4-9(18)14-7-8/h8H,3-7H2,1-2H3,(H,14,18)(H,15,19)(H,16,21).
What are the key properties of 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide?
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 296.33 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 62896427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).