1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one

C16H27N3O2 — CID 127028581

IUPAC1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one
SMILESO=C(CCN1CCNCC1)N1C(=O)CCC12CCCCC2
InChIInChI=1S/C16H27N3O2/c20-14-4-8-16(6-2-1-3-7-16)19(14)15(21)5-11-18-12-9-17-10-13-18/h17H,1-13H2
InChIKeyVJHBYYYRNBKJNS-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds3

About 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one

1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one (PubChem CID 127028581) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one
PubChem CID127028581
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one
SMILESO=C(CCN1CCNCC1)N1C(=O)CCC12CCCCC2
InChIInChI=1S/C16H27N3O2/c20-14-4-8-16(6-2-1-3-7-16)19(14)15(21)5-11-18-12-9-17-10-13-18/h17H,1-13H2
InChIKeyVJHBYYYRNBKJNS-UHFFFAOYSA-N
XLogP1.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one (CID 127028581) is 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one is O=C(CCN1CCNCC1)N1C(=O)CCC12CCCCC2.
What is the InChIKey of 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one?
The InChIKey is VJHBYYYRNBKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-14-4-8-16(6-2-1-3-7-16)19(14)15(21)5-11-18-12-9-17-10-13-18/h17H,1-13H2.
What are the key properties of 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one?
1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one has a molecular weight of 293.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperazin-1-ylpropanoyl)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 127028581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).