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

C18H32N2O4 — CID 87022131

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
SMILESCC(C)COC1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H32N2O4/c1-15(2)14-22-16-3-7-19(8-4-16)13-17(21)20-9-5-18(6-10-20)23-11-12-24-18/h15-16H,3-14H2,1-2H3
InChIKeyBRUVKAHXVRYROO-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.49
Rot. Bonds5

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

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone (PubChem CID 87022131) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
PubChem CID87022131
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
SMILESCC(C)COC1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H32N2O4/c1-15(2)14-22-16-3-7-19(8-4-16)13-17(21)20-9-5-18(6-10-20)23-11-12-24-18/h15-16H,3-14H2,1-2H3
InChIKeyBRUVKAHXVRYROO-UHFFFAOYSA-N
XLogP1.49
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone (CID 87022131) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone is CC(C)COC1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
The InChIKey is BRUVKAHXVRYROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-15(2)14-22-16-3-7-19(8-4-16)13-17(21)20-9-5-18(6-10-20)23-11-12-24-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone has a molecular weight of 340.46 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 87022131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).