8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C14H13ClN2O3 — CID 115946514

IUPAC8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-10-4-2-9(3-5-10)8-17-12(19)14(6-1-7-14)11(18)16-13(17)20/h2-5H,1,6-8H2,(H,16,18,20)
InChIKeyQIANYFAMWVAJBK-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.09
Rot. Bonds2

About 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115946514) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115946514
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-10-4-2-9(3-5-10)8-17-12(19)14(6-1-7-14)11(18)16-13(17)20/h2-5H,1,6-8H2,(H,16,18,20)
InChIKeyQIANYFAMWVAJBK-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-[2-(5-chlorothiophen-2-yl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 106040636
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
9-[(1-methylpyrazol-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115949050
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 114958048
8-[2-(3-methylphenyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947825
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
3'-[(4-chlorophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4150094
4-(1,3-thiazol-2-ylmethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947293
8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598235
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948048

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115946514) is 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is QIANYFAMWVAJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-10-4-2-9(3-5-10)8-17-12(19)14(6-1-7-14)11(18)16-13(17)20/h2-5H,1,6-8H2,(H,16,18,20).
What are the key properties of 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 292.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115946514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).