tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate

C24H32ClN3O4 — CID 164921533

IUPACtert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)C(=O)N(C1CCCCC1)CC(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O4/c1-23(2,3)32-22(31)26-15-24(16-26)21(30)27(19-7-5-4-6-8-19)14-20(29)28(24)13-17-9-11-18(25)12-10-17/h9-12,19H,4-8,13-16H2,1-3H3
InChIKeyJWNJUSXSLZWPGS-UHFFFAOYSA-N
MW461.99 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate

tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate (PubChem CID 164921533) has the molecular formula C24H32ClN3O4 and a molecular weight of 461.99 g/mol. Its IUPAC name is tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
PubChem CID164921533
Molecular FormulaC24H32ClN3O4
Molecular Weight461.99 g/mol
Exact Mass461.21
IUPAC Nametert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(C1)C(=O)N(C1CCCCC1)CC(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O4/c1-23(2,3)32-22(31)26-15-24(16-26)21(30)27(19-7-5-4-6-8-19)14-20(29)28(24)13-17-9-11-18(25)12-10-17/h9-12,19H,4-8,13-16H2,1-3H3
InChIKeyJWNJUSXSLZWPGS-UHFFFAOYSA-N
XLogP3.83
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 8-[4-(difluoromethyl)cyclohexyl]-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 164921553
tert-butyl 6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-7,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate;6-[(4-chlorophenyl)methyl]-9-[(4-methoxyphenyl)methyl]-2,6,9-triazaspiro[4.5]decane-7,10-dione;dichloromethane
CID 159585166
tert-butyl 3-[[(4-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 71506034
tert-butyl 6-[(4-chlorophenyl)methylcarbamoylamino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166834913
tert-butyl 3-[(4-chlorophenyl)methyl-methylamino]azetidine-1-carboxylate
CID 166358344
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
tert-butyl 3-(4-chlorophenyl)-2-cyclooctyl-3,3a,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6-carboxylate
CID 90969331
tert-butyl 3-(4-chlorophenyl)-2-cyclooctyl-1,3,4,5,7,8-hexahydropyrazolo[3,4-d]azepine-6-carboxylate
CID 67269146
tert-butyl 4-[N-[(4-chlorophenyl)methyl]-4-methylanilino]piperidine-1-carboxylate
CID 10024835
4-(4-chlorophenyl)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 22228454
2-[3-(4-chlorophenyl)sulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141026
tert-butyl 2-[(4-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate;5-[(4-chlorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 162120116

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate (CID 164921533) is tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(C1)C(=O)N(C1CCCCC1)CC(=O)N2Cc1ccc(Cl)cc1.
What is the InChIKey of tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is JWNJUSXSLZWPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O4/c1-23(2,3)32-22(31)26-15-24(16-26)21(30)27(19-7-5-4-6-8-19)14-20(29)28(24)13-17-9-11-18(25)12-10-17/h9-12,19H,4-8,13-16H2,1-3H3.
What are the key properties of tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 461.99 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(4-chlorophenyl)methyl]-8-cyclohexyl-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 164921533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).