8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride

C16H22Cl2N2O2 — CID 121005441

IUPAC8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
SMILESCN1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O.Cl.Cl
InChIInChI=1S/C16H20N2O2.2ClH/c1-17-14(19)11-16(15(17)20)7-9-18(10-8-16)12-13-5-3-2-4-6-13;;/h2-6H,7-12H2,1H3;2*1H
InChIKeyIISBIHIEQCKGGQ-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.50
Rot. Bonds2

About 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride

8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride (PubChem CID 121005441) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride.

Molecular Properties

Compound Name8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
PubChem CID121005441
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
SMILESCN1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O.Cl.Cl
InChIInChI=1S/C16H20N2O2.2ClH/c1-17-14(19)11-16(15(17)20)7-9-18(10-8-16)12-13-5-3-2-4-6-13;;/h2-6H,7-12H2,1H3;2*1H
InChIKeyIISBIHIEQCKGGQ-UHFFFAOYSA-N
XLogP2.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
CID 10613541
1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
CID 146485816
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
1-benzyl-1',3'-dimethylspiro[piperidine-4,2'-quinazoline]-4'-one;hydrochloride
CID 12667858
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecan-3-yl)acetic acid
CID 23435738
3-benzyl-8-(1-benzyl-4-methylpiperidine-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 175659156
1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
CID 70675866
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135332705
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 160986677

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride?
The IUPAC name of 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride (CID 121005441) is 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride.
What is the SMILES notation for 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride?
The canonical SMILES for 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride is CN1C(=O)CC2(CCN(Cc3ccccc3)CC2)C1=O.Cl.Cl.
What is the InChIKey of 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride?
The InChIKey is IISBIHIEQCKGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.2ClH/c1-17-14(19)11-16(15(17)20)7-9-18(10-8-16)12-13-5-3-2-4-6-13;;/h2-6H,7-12H2,1H3;2*1H.
What are the key properties of 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride?
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride is sourced from PubChem (CID 121005441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).