1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

C16H22N2O — CID 3235084

IUPAC1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2
InChIInChI=1S/C16H22N2O/c1-14(19)18-9-7-16(8-10-18)12-17(13-16)11-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3
InChIKeyKFDXHGLVKPWWIC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.13
Rot. Bonds2

About 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone

1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 3235084) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
PubChem CID3235084
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2
InChIInChI=1S/C16H22N2O/c1-14(19)18-9-7-16(8-10-18)12-17(13-16)11-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3
InChIKeyKFDXHGLVKPWWIC-UHFFFAOYSA-N
XLogP2.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone (CID 3235084) is 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is CC(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2.
What is the InChIKey of 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is KFDXHGLVKPWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-14(19)18-9-7-16(8-10-18)12-17(13-16)11-15-5-3-2-4-6-15/h2-6H,7-13H2,1H3.
What are the key properties of 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone?
1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 258.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 3235084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).