2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone

C16H28N2O3 — CID 109003227

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C16H28N2O3/c1-2-14-5-3-4-8-18(14)15(19)13-17-9-6-16(7-10-17)20-11-12-21-16/h14H,2-13H2,1H3
InChIKeyGHJVLLSLOFPDEY-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.62
Rot. Bonds3

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 109003227) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID109003227
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C16H28N2O3/c1-2-14-5-3-4-8-18(14)15(19)13-17-9-6-16(7-10-17)20-11-12-21-16/h14H,2-13H2,1H3
InChIKeyGHJVLLSLOFPDEY-UHFFFAOYSA-N
XLogP1.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439642
1-(3,5-Dimethylpiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56811819
2-(2,6-Dimethylmorpholin-4-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892133
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propyl]-N-methylacetamide
CID 53861791
1-(4-Aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 39291577
1-(4-Aminopiperidin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpropan-1-one
CID 39317049
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-morpholin-4-ylethane-1,2-dione
CID 45587221
N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanamide
CID 45808279
1-(2,6-Dimethylmorpholin-4-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 45810904
N-cyclopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylacetamide
CID 47523435
1-(4-Acetylpiperazin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 52223532
N-cyclopropyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylacetamide
CID 52263098

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 109003227) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CN1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is GHJVLLSLOFPDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-14-5-3-4-8-18(14)15(19)13-17-9-6-16(7-10-17)20-11-12-21-16/h14H,2-13H2,1H3.
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 296.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 109003227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).