4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile

C17H19N3O2 — CID 2081807

IUPAC4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O
InChIInChI=1S/C17H19N3O2/c1-12-4-2-3-9-17(12)15(21)20(16(22)19-17)11-14-7-5-13(10-18)6-8-14/h5-8,12H,2-4,9,11H2,1H3,(H,19,22)/t12-,17-/m1/s1
InChIKeyNCRYVUUVONMELX-SJKOYZFVSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds2

About 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile

4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile (PubChem CID 2081807) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
PubChem CID2081807
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O
InChIInChI=1S/C17H19N3O2/c1-12-4-2-3-9-17(12)15(21)20(16(22)19-17)11-14-7-5-13(10-18)6-8-14/h5-8,12H,2-4,9,11H2,1H3,(H,19,22)/t12-,17-/m1/s1
InChIKeyNCRYVUUVONMELX-SJKOYZFVSA-N
XLogP2.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile 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

2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetonitrile
CID 51459819
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345
(3-cyanophenyl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955418
N-(3-cyanophenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703513
N-(3-cyanophenyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703516
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
(5S,6R)-6-methyl-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172299
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707

Frequently Asked Questions

What is the IUPAC name of 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile?
The IUPAC name of 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile (CID 2081807) is 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile is C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(C#N)cc1)C2=O.
What is the InChIKey of 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile?
The InChIKey is NCRYVUUVONMELX-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-2-3-9-17(12)15(21)20(16(22)19-17)11-14-7-5-13(10-18)6-8-14/h5-8,12H,2-4,9,11H2,1H3,(H,19,22)/t12-,17-/m1/s1.
What are the key properties of 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile?
4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile has a molecular weight of 297.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile is sourced from PubChem (CID 2081807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).