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

C16H26N2O4 — CID 108950002

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
SMILESCC1CCCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C16H26N2O4/c1-13-3-2-6-18(12-13)15(20)11-14(19)17-7-4-16(5-8-17)21-9-10-22-16/h13H,2-12H2,1H3
InChIKeyLZRXATZJKCPWNA-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.00
Rot. Bonds2

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione (PubChem CID 108950002) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
PubChem CID108950002
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
SMILESCC1CCCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C16H26N2O4/c1-13-3-2-6-18(12-13)15(20)11-14(19)17-7-4-16(5-8-17)21-9-10-22-16/h13H,2-12H2,1H3
InChIKeyLZRXATZJKCPWNA-UHFFFAOYSA-N
XLogP1.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-Dimethylpiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56811819
1-[3-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344236
Ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 69986919
tert-butyl (3R)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 70877878
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-4-yl)methanone
CID 70985652
1-[4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]ethanone
CID 110686035
3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-1-morpholin-4-ylpropan-1-one
CID 52263147
Tert-butyl 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 52569623
3-[3-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]propanenitrile
CID 84278203
2-(3,5-Dimethylpiperidin-1-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 87012535
1-(3-(1,4-Dioxa-8-azaspiro[4.5]decane-8-carbonyl)azetidin-1-yl)ethanone
CID 90513698
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 94061500

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione (CID 108950002) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione is CC1CCCN(C(=O)CC(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione?
The InChIKey is LZRXATZJKCPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-13-3-2-6-18(12-13)15(20)11-14(19)17-7-4-16(5-8-17)21-9-10-22-16/h13H,2-12H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione has a molecular weight of 310.39 g/mol, XLogP of 1.00, 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)-3-(3-methylpiperidin-1-yl)propane-1,3-dione is sourced from PubChem (CID 108950002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).