1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate

C17H28N2O3 — CID 145259671

IUPAC1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate
SMILESCN1CCC2(CC1)CC(NC(=O)OC1CCC3(CC1)CO3)C2
InChIInChI=1S/C17H28N2O3/c1-19-8-6-16(7-9-19)10-13(11-16)18-15(20)22-14-2-4-17(5-3-14)12-21-17/h13-14H,2-12H2,1H3,(H,18,20)
InChIKeySKORUWUEWIOJCJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.30
Rot. Bonds2

About 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate

1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate (PubChem CID 145259671) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate.

Molecular Properties

Compound Name1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate
PubChem CID145259671
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate
SMILESCN1CCC2(CC1)CC(NC(=O)OC1CCC3(CC1)CO3)C2
InChIInChI=1S/C17H28N2O3/c1-19-8-6-16(7-9-19)10-13(11-16)18-15(20)22-14-2-4-17(5-3-14)12-21-17/h13-14H,2-12H2,1H3,(H,18,20)
InChIKeySKORUWUEWIOJCJ-UHFFFAOYSA-N
XLogP2.30
TPSA54.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 140853693
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097
cyclopentyl N-[7-[(2-methylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 155875065
N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)pentanamide
CID 176954039
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
cyclopentyl N-(oxetan-3-yl)carbamate
CID 129131220
oxan-4-yl N-(4,4-dimethylcyclohexyl)carbamate
CID 126813583
cyclohexyl N-(oxetan-3-yl)carbamate
CID 150702100
(4,4-dimethylcycloheptyl) N-cyclohexylcarbamate
CID 91190672
N,8-dimethyl-8-azaspiro[4.5]decan-3-amine
CID 164868798
1-oxa-8-azaspiro[4.5]decan-3-yl N-cyclobutylcarbamate
CID 102930707
2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid
CID 166272414

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
The IUPAC name of 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate (CID 145259671) is 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate.
What is the SMILES notation for 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
The canonical SMILES for 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate is CN1CCC2(CC1)CC(NC(=O)OC1CCC3(CC1)CO3)C2.
What is the InChIKey of 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
The InChIKey is SKORUWUEWIOJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-19-8-6-16(7-9-19)10-13(11-16)18-15(20)22-14-2-4-17(5-3-14)12-21-17/h13-14H,2-12H2,1H3,(H,18,20).
What are the key properties of 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate?
1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate has a molecular weight of 308.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[2.5]octan-6-yl N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)carbamate is sourced from PubChem (CID 145259671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).