1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one

C15H27N3O — CID 54348819

IUPAC1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one
SMILESO=C1NCCCCN1C1NCCCC12CCCCC2
InChIInChI=1S/C15H27N3O/c19-14-17-10-4-5-12-18(14)13-15(9-6-11-16-13)7-2-1-3-8-15/h13,16H,1-12H2,(H,17,19)
InChIKeyUEFOOLAJWCGJAC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds1

About 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one

1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one (PubChem CID 54348819) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one.

Molecular Properties

Compound Name1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one
PubChem CID54348819
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one
SMILESO=C1NCCCCN1C1NCCCC12CCCCC2
InChIInChI=1S/C15H27N3O/c19-14-17-10-4-5-12-18(14)13-15(9-6-11-16-13)7-2-1-3-8-15/h13,16H,1-12H2,(H,17,19)
InChIKeyUEFOOLAJWCGJAC-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one?
The IUPAC name of 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one (CID 54348819) is 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one.
What is the SMILES notation for 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one?
The canonical SMILES for 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one is O=C1NCCCCN1C1NCCCC12CCCCC2.
What is the InChIKey of 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one?
The InChIKey is UEFOOLAJWCGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-14-17-10-4-5-12-18(14)13-15(9-6-11-16-13)7-2-1-3-8-15/h13,16H,1-12H2,(H,17,19).
What are the key properties of 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one?
1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one has a molecular weight of 265.40 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[5.5]undecan-1-yl)-1,3-diazepan-2-one is sourced from PubChem (CID 54348819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).