1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone

C19H28N2O2 — CID 3233655

IUPAC1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H28N2O2/c1-23-15-18(22)21-12-9-19(10-13-21)8-5-11-20(16-19)14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3
InChIKeyTXJWHLXWWHOMOT-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone

1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone (PubChem CID 3233655) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
PubChem CID3233655
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C19H28N2O2/c1-23-15-18(22)21-12-9-19(10-13-21)8-5-11-20(16-19)14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3
InChIKeyTXJWHLXWWHOMOT-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
The IUPAC name of 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone (CID 3233655) is 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone is COCC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
The InChIKey is TXJWHLXWWHOMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-23-15-18(22)21-12-9-19(10-13-21)8-5-11-20(16-19)14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3.
What are the key properties of 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone?
1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone has a molecular weight of 316.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methoxyethanone is sourced from PubChem (CID 3233655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).