3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C17H29N3O3 — CID 4682145

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)N2C(C)CCCC2C)C1=O
InChIInChI=1S/C17H29N3O3/c1-11(2)9-17(5)15(22)19(16(23)18-17)10-14(21)20-12(3)7-6-8-13(20)4/h11-13H,6-10H2,1-5H3,(H,18,23)
InChIKeyFLBKRIBHFCBROT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.13
Rot. Bonds4

About 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 4682145) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID4682145
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)N2C(C)CCCC2C)C1=O
InChIInChI=1S/C17H29N3O3/c1-11(2)9-17(5)15(22)19(16(23)18-17)10-14(21)20-12(3)7-6-8-13(20)4/h11-13H,6-10H2,1-5H3,(H,18,23)
InChIKeyFLBKRIBHFCBROT-UHFFFAOYSA-N
XLogP2.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 4682145) is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CC1(C)NC(=O)N(CC(=O)N2C(C)CCCC2C)C1=O.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is FLBKRIBHFCBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-11(2)9-17(5)15(22)19(16(23)18-17)10-14(21)20-12(3)7-6-8-13(20)4/h11-13H,6-10H2,1-5H3,(H,18,23).
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 323.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 4682145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).