tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate

C15H26N2O5 — CID 71942740

IUPACtert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H26N2O5/c1-11(16-13(19)22-14(2,3)4)12(18)17-7-5-15(6-8-17)20-9-10-21-15/h11H,5-10H2,1-4H3,(H,16,19)
InChIKeyNQAZXDFACKFQQK-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.27
Rot. Bonds2

About tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 71942740) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
PubChem CID71942740
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H26N2O5/c1-11(16-13(19)22-14(2,3)4)12(18)17-7-5-15(6-8-17)20-9-10-21-15/h11H,5-10H2,1-4H3,(H,16,19)
InChIKeyNQAZXDFACKFQQK-UHFFFAOYSA-N
XLogP1.27
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
tert-butyl N-[1-(4-carbamoylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 24688681
tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate
CID 170551087
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
CID 175191269
tert-butyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylate
CID 11824008
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 11417719
tert-butyl N-[1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560389
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396
tert-butyl N-[1-(4-methyl-3-oxopiperazin-1-yl)-1-oxopropan-2-yl]carbamate
CID 64682865
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-ylbutan-2-yl] acetate
CID 121304116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate (CID 71942740) is tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is NQAZXDFACKFQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-11(16-13(19)22-14(2,3)4)12(18)17-7-5-15(6-8-17)20-9-10-21-15/h11H,5-10H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71942740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).