7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

C16H28N4O2 — CID 56758345

IUPAC7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCN3CCNCC3)C2)C1=O
InChIInChI=1S/C16H28N4O2/c1-18-8-2-4-16(15(18)22)5-10-20(13-16)14(21)3-9-19-11-6-17-7-12-19/h17H,2-13H2,1H3
InChIKeyXEQCJGIIIKJHIK-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.25
Rot. Bonds3

About 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56758345) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56758345
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCN3CCNCC3)C2)C1=O
InChIInChI=1S/C16H28N4O2/c1-18-8-2-4-16(15(18)22)5-10-20(13-16)14(21)3-9-19-11-6-17-7-12-19/h17H,2-13H2,1H3
InChIKeyXEQCJGIIIKJHIK-UHFFFAOYSA-N
XLogP-0.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56758345) is 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)CCN3CCNCC3)C2)C1=O.
What is the InChIKey of 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XEQCJGIIIKJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-18-8-2-4-16(15(18)22)5-10-20(13-16)14(21)3-9-19-11-6-17-7-12-19/h17H,2-13H2,1H3.
What are the key properties of 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 308.43 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-piperazin-1-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56758345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).