3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one

C14H25N3O3 — CID 39285941

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCC2(CC1)OCCO2)N1CCNCC1
InChIInChI=1S/C14H25N3O3/c18-13(17-9-4-15-5-10-17)1-6-16-7-2-14(3-8-16)19-11-12-20-14/h15H,1-12H2
InChIKeyXESHZYOWYRWXKJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.35
Rot. Bonds3

About 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one

3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 39285941) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID39285941
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCC2(CC1)OCCO2)N1CCNCC1
InChIInChI=1S/C14H25N3O3/c18-13(17-9-4-15-5-10-17)1-6-16-7-2-14(3-8-16)19-11-12-20-14/h15H,1-12H2
InChIKeyXESHZYOWYRWXKJ-UHFFFAOYSA-N
XLogP-0.35
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one (CID 39285941) is 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCC2(CC1)OCCO2)N1CCNCC1.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is XESHZYOWYRWXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-13(17-9-4-15-5-10-17)1-6-16-7-2-14(3-8-16)19-11-12-20-14/h15H,1-12H2.
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one?
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39285941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).