1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

C18H26N2O — CID 3232628

IUPAC1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N2O/c1-16(21)20-13-9-18(10-14-20)7-11-19(12-8-18)15-17-5-3-2-4-6-17/h2-6H,7-15H2,1H3
InChIKeyZAWRNIMKTIGMCT-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds2

About 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 3232628) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID3232628
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N2O/c1-16(21)20-13-9-18(10-14-20)7-11-19(12-8-18)15-17-5-3-2-4-6-17/h2-6H,7-15H2,1H3
InChIKeyZAWRNIMKTIGMCT-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 3232628) is 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is CC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is ZAWRNIMKTIGMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-16(21)20-13-9-18(10-14-20)7-11-19(12-8-18)15-17-5-3-2-4-6-17/h2-6H,7-15H2,1H3.
What are the key properties of 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 3232628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).