3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione

C15H24N2O4 — CID 79900516

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2CCOC3(CCOCC3)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-17-13(18)3-2-12(14(17)19)16-11-4-7-21-15(10-11)5-8-20-9-6-15/h11-12,16H,2-10H2,1H3
InChIKeyBDENCXVQFCZOLF-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.45
Rot. Bonds2

About 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione

3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione (PubChem CID 79900516) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
PubChem CID79900516
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2CCOC3(CCOCC3)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-17-13(18)3-2-12(14(17)19)16-11-4-7-21-15(10-11)5-8-20-9-6-15/h11-12,16H,2-10H2,1H3
InChIKeyBDENCXVQFCZOLF-UHFFFAOYSA-N
XLogP0.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
CID 79900518
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-(2,2,3,3-tetramethylcyclopropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903159
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
N-(oxan-3-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903430
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,3-dimethylpiperidin-4-amine
CID 115894817
N-(1-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895145
N-(2-methoxycyclopentyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895178
tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate
CID 103719952
N-(2,3-dimethylcyclopentyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903372

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione (CID 79900516) is 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NC2CCOC3(CCOCC3)C2)C1=O.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione?
The InChIKey is BDENCXVQFCZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-17-13(18)3-2-12(14(17)19)16-11-4-7-21-15(10-11)5-8-20-9-6-15/h11-12,16H,2-10H2,1H3.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione?
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione has a molecular weight of 296.37 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 79900516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).