ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate

C18H29N3O3 — CID 118385691

IUPACethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)N1CC2CCC(C1)C2N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C18H29N3O3/c1-2-24-17(23)21-10-13-3-4-14(11-21)16(13)20-7-5-18(6-8-20)9-15(22)19-12-18/h13-14,16H,2-12H2,1H3,(H,19,22)
InChIKeyYSSXXBDSXJACJR-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.46
Rot. Bonds2

About ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate

ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 118385691) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID118385691
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCCOC(=O)N1CC2CCC(C1)C2N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C18H29N3O3/c1-2-24-17(23)21-10-13-3-4-14(11-21)16(13)20-7-5-18(6-8-20)9-15(22)19-12-18/h13-14,16H,2-12H2,1H3,(H,19,22)
InChIKeyYSSXXBDSXJACJR-UHFFFAOYSA-N
XLogP1.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate (CID 118385691) is ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate is CCOC(=O)N1CC2CCC(C1)C2N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is YSSXXBDSXJACJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-2-24-17(23)21-10-13-3-4-14(11-21)16(13)20-7-5-18(6-8-20)9-15(22)19-12-18/h13-14,16H,2-12H2,1H3,(H,19,22).
What are the key properties of ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate?
ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 118385691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).