9-benzyl-2,9-diazaspiro[5.5]undecan-1-one

C16H22N2O — CID 118960394

IUPAC9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H22N2O/c19-15-16(7-4-10-17-15)8-11-18(12-9-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,17,19)
InChIKeyRXMJZCGXCZAXMD-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.18
Rot. Bonds2

About 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one

9-benzyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 118960394) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID118960394
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCCC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C16H22N2O/c19-15-16(7-4-10-17-15)8-11-18(12-9-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,17,19)
InChIKeyRXMJZCGXCZAXMD-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385
1'-[(1-benzylpyrazol-4-yl)methyl]spiro[2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,4'-piperidine]-6,13-dione
CID 133073527
(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151956
7-(1-benzylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 126655484
1-benzyl-9-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495875
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
9-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212930
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(5R)-13-benzyl-7,10-dioxa-3,13-diazadispiro[4.0.46.45]tetradecan-4-one
CID 97289840
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one (CID 118960394) is 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one is O=C1NCCCC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is RXMJZCGXCZAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15-16(7-4-10-17-15)8-11-18(12-9-16)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,17,19).
What are the key properties of 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one?
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 118960394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).