3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one

C15H27N3O — CID 102850218

IUPAC3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
SMILESO=C1NCCCCC1N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H27N3O/c19-14-13(5-1-2-9-17-14)18-10-4-7-15(12-18)6-3-8-16-11-15/h13,16H,1-12H2,(H,17,19)
InChIKeyJMHGLVMUNGHMKN-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.12
Rot. Bonds1

About 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one

3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one (PubChem CID 102850218) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one.

Molecular Properties

Compound Name3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
PubChem CID102850218
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one
SMILESO=C1NCCCCC1N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H27N3O/c19-14-13(5-1-2-9-17-14)18-10-4-7-15(12-18)6-3-8-16-11-15/h13,16H,1-12H2,(H,17,19)
InChIKeyJMHGLVMUNGHMKN-UHFFFAOYSA-N
XLogP1.12
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one?
The IUPAC name of 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one (CID 102850218) is 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one.
What is the SMILES notation for 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one?
The canonical SMILES for 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one is O=C1NCCCCC1N1CCCC2(CCCNC2)C1.
What is the InChIKey of 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one?
The InChIKey is JMHGLVMUNGHMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-14-13(5-1-2-9-17-14)18-10-4-7-15(12-18)6-3-8-16-11-15/h13,16H,1-12H2,(H,17,19).
What are the key properties of 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one?
3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one has a molecular weight of 265.40 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-diazaspiro[5.5]undecan-2-yl)azepan-2-one is sourced from PubChem (CID 102850218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).