1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione

C18H30N2O4 — CID 108959148

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
SMILESCC1CCN(C(=O)C(C)(C)C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H30N2O4/c1-14-4-8-19(9-5-14)15(21)17(2,3)16(22)20-10-6-18(7-11-20)23-12-13-24-18/h14H,4-13H2,1-3H3
InChIKeyHKWKYYBVQJVBGV-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.64
Rot. Bonds2

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione (PubChem CID 108959148) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
PubChem CID108959148
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
SMILESCC1CCN(C(=O)C(C)(C)C(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H30N2O4/c1-14-4-8-19(9-5-14)15(21)17(2,3)16(22)20-10-6-18(7-11-20)23-12-13-24-18/h14H,4-13H2,1-3H3
InChIKeyHKWKYYBVQJVBGV-UHFFFAOYSA-N
XLogP1.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione (CID 108959148) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione is CC1CCN(C(=O)C(C)(C)C(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
The InChIKey is HKWKYYBVQJVBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-14-4-8-19(9-5-14)15(21)17(2,3)16(22)20-10-6-18(7-11-20)23-12-13-24-18/h14H,4-13H2,1-3H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione has a molecular weight of 338.45 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione is sourced from PubChem (CID 108959148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).