tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate

C15H26N2O3 — CID 165464013

IUPACtert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCCN1CCC(=O)C12CCCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H26N2O3/c1-5-17-10-7-12(18)15(17)8-6-9-16(11-15)13(19)20-14(2,3)4/h5-11H2,1-4H3
InChIKeyPQVUWRRDDHZLED-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.05
Rot. Bonds1

About tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 165464013) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID165464013
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCCN1CCC(=O)C12CCCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H26N2O3/c1-5-17-10-7-12(18)15(17)8-6-9-16(11-15)13(19)20-14(2,3)4/h5-11H2,1-4H3
InChIKeyPQVUWRRDDHZLED-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-ethyl-3-fluoro-4-oxopiperidine-1-carboxylate
CID 156538156
tert-butyl (3R)-3-fluoro-3-methyl-4-oxopiperidine-1-carboxylate
CID 175821609
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 3-carbamoyl-3-(propylamino)piperidine-1-carboxylate
CID 79307958
tert-butyl 2-ethyl-4-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373297
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate (CID 165464013) is tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate is CCN1CCC(=O)C12CCCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is PQVUWRRDDHZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17-10-7-12(18)15(17)8-6-9-16(11-15)13(19)20-14(2,3)4/h5-11H2,1-4H3.
What are the key properties of tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-ethyl-4-oxo-1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 165464013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).