cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C20H34N2O3 — CID 97474692

IUPACcyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)C[C@@H]1COC
InChIInChI=1S/C20H34N2O3/c1-24-13-12-22-16-20(14-18(22)15-25-2)8-10-21(11-9-20)19(23)17-6-4-3-5-7-17/h6,18H,3-5,7-16H2,1-2H3/t18-/m1/s1
InChIKeySFYUJIHVLGFXJJ-GOSISDBHSA-N
MW350.50 g/mol
LogP2.46
Rot. Bonds6

About cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97474692) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97474692
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Namecyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)C[C@@H]1COC
InChIInChI=1S/C20H34N2O3/c1-24-13-12-22-16-20(14-18(22)15-25-2)8-10-21(11-9-20)19(23)17-6-4-3-5-7-17/h6,18H,3-5,7-16H2,1-2H3/t18-/m1/s1
InChIKeySFYUJIHVLGFXJJ-GOSISDBHSA-N
XLogP2.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97474692) is cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is COCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)C[C@@H]1COC.
What is the InChIKey of cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is SFYUJIHVLGFXJJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-24-13-12-22-16-20(14-18(22)15-25-2)8-10-21(11-9-20)19(23)17-6-4-3-5-7-17/h6,18H,3-5,7-16H2,1-2H3/t18-/m1/s1.
What are the key properties of cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 350.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[(3R)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97474692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).