tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate

C19H26N2O3 — CID 96531973

IUPACtert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)20-12-7-10-19(14-20)11-13-21(16(19)22)15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3/t19-/m0/s1
InChIKeyGJQCSRWKSRNBOS-IBGZPJMESA-N
MW330.43 g/mol
LogP3.44
Rot. Bonds1

About tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 96531973) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID96531973
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)20-12-7-10-19(14-20)11-13-21(16(19)22)15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3/t19-/m0/s1
InChIKeyGJQCSRWKSRNBOS-IBGZPJMESA-N
XLogP3.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 131679959
tert-butyl (3S)-2-oxospiro[1,4-dihydroquinoline-3,3'-piperidine]-1'-carboxylate
CID 86318513
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
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tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 3-acetyl-3-benzylpiperidine-1-carboxylate
CID 20592687
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 96531973) is tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1.
What is the InChIKey of tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is GJQCSRWKSRNBOS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)24-17(23)20-12-7-10-19(14-20)11-13-21(16(19)22)15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3/t19-/m0/s1.
What are the key properties of tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 96531973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).