1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H25N3O2 — CID 26143670

IUPAC1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C22H25N3O2/c1-23-20(26)22(25(21(23)27)17-19-10-6-3-7-11-19)12-14-24(15-13-22)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3
InChIKeyARJYDNMHJWZQOP-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.12
Rot. Bonds4

About 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26143670) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26143670
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C22H25N3O2/c1-23-20(26)22(25(21(23)27)17-19-10-6-3-7-11-19)12-14-24(15-13-22)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3
InChIKeyARJYDNMHJWZQOP-UHFFFAOYSA-N
XLogP3.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146896
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428469
1-benzyl-3-methyl-8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418741
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 166598743
1-benzyl-3-methyl-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420624
1-benzyl-3-methyl-8-(1-methylimidazole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427381
1-benzyl-3-methyl-8-(2H-triazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427262
1-benzyl-8-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417701
1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165422795
1-benzyl-8-[6-(methoxymethyl)pyrimidin-4-yl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419738
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545

Frequently Asked Questions

What is the IUPAC name of 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26143670) is 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ARJYDNMHJWZQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-23-20(26)22(25(21(23)27)17-19-10-6-3-7-11-19)12-14-24(15-13-22)16-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3.
What are the key properties of 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26143670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).