1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione

C16H26N2O3 — CID 79900518

IUPAC1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2CCOC3(CCCCC3)C2)C1=O
InChIInChI=1S/C16H26N2O3/c1-18-14(19)6-5-13(15(18)20)17-12-7-10-21-16(11-12)8-3-2-4-9-16/h12-13,17H,2-11H2,1H3
InChIKeyRGNXHWGFHWIDQK-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.61
Rot. Bonds2

About 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione

1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione (PubChem CID 79900518) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
PubChem CID79900518
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NC2CCOC3(CCCCC3)C2)C1=O
InChIInChI=1S/C16H26N2O3/c1-18-14(19)6-5-13(15(18)20)17-12-7-10-21-16(11-12)8-3-2-4-9-16/h12-13,17H,2-11H2,1H3
InChIKeyRGNXHWGFHWIDQK-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
CID 79900516
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
1-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)pyrrolidine-2,5-dione
CID 79903697
3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidin-2-one
CID 79895755
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
methyl 4-(6-oxaspiro[4.5]decan-9-ylamino)piperidine-1-carboxylate
CID 71915372
N-(thian-3-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 86811515

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione (CID 79900518) is 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione is CN1C(=O)CCC(NC2CCOC3(CCCCC3)C2)C1=O.
What is the InChIKey of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione?
The InChIKey is RGNXHWGFHWIDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18-14(19)6-5-13(15(18)20)17-12-7-10-21-16(11-12)8-3-2-4-9-16/h12-13,17H,2-11H2,1H3.
What are the key properties of 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione?
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione has a molecular weight of 294.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 79900518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).