2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H34N2O2 — CID 45252934

IUPAC2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C3CCCCCCC3)C2)C1=O
InChIInChI=1S/C19H34N2O2/c1-23-15-14-20-12-7-10-19(18(20)22)11-13-21(16-19)17-8-5-3-2-4-6-9-17/h17H,2-16H2,1H3
InChIKeyBEHDLWFAISGWAG-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.06
Rot. Bonds4

About 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45252934) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45252934
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C3CCCCCCC3)C2)C1=O
InChIInChI=1S/C19H34N2O2/c1-23-15-14-20-12-7-10-19(18(20)22)11-13-21(16-19)17-8-5-3-2-4-6-9-17/h17H,2-16H2,1H3
InChIKeyBEHDLWFAISGWAG-UHFFFAOYSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45221572
(5S)-7-(cyclobutylmethyl)-2-(1-methylpiperidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 25313167
(5S)-7-(cyclohexylmethyl)-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 42556979
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45214580
(5R)-2-cyclobutyl-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42526301
(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133083
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677
(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42465599

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45252934) is 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C3CCCCCCC3)C2)C1=O.
What is the InChIKey of 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BEHDLWFAISGWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-23-15-14-20-12-7-10-19(18(20)22)11-13-21(16-19)17-8-5-3-2-4-6-9-17/h17H,2-16H2,1H3.
What are the key properties of 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 322.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45252934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).