3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H19ClN2O2 — CID 36658226

IUPAC3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C12CCCCC2
InChIInChI=1S/C16H19ClN2O2/c1-18-15(21)19(11-12-6-5-7-13(17)10-12)14(20)16(18)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPZVCYGXVIPYAGD-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.44
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 36658226) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID36658226
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C12CCCCC2
InChIInChI=1S/C16H19ClN2O2/c1-18-15(21)19(11-12-6-5-7-13(17)10-12)14(20)16(18)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3
InChIKeyPZVCYGXVIPYAGD-UHFFFAOYSA-N
XLogP3.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141030
8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341336
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33097424
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55467477
8-[(3-chlorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225090
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
N-benzyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-phenylacetamide
CID 31927853
3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224764
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
6-[(3-chlorophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874117

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 36658226) is 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(Cc2cccc(Cl)c2)C(=O)C12CCCCC2.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PZVCYGXVIPYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-18-15(21)19(11-12-6-5-7-13(17)10-12)14(20)16(18)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 306.79 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 36658226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).