cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone

C22H30N2O2 — CID 156602762

IUPACcyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone
SMILESCN(C)c1cccc(C2=COC3(CCCN(C(=O)C4CCCC4)C3)C2)c1
InChIInChI=1S/C22H30N2O2/c1-23(2)20-10-5-9-18(13-20)19-14-22(26-15-19)11-6-12-24(16-22)21(25)17-7-3-4-8-17/h5,9-10,13,15,17H,3-4,6-8,11-12,14,16H2,1-2H3
InChIKeyAHYIAIZPUKTARJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.07
Rot. Bonds3

About cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone

cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone (PubChem CID 156602762) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone
PubChem CID156602762
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Namecyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone
SMILESCN(C)c1cccc(C2=COC3(CCCN(C(=O)C4CCCC4)C3)C2)c1
InChIInChI=1S/C22H30N2O2/c1-23(2)20-10-5-9-18(13-20)19-14-22(26-15-19)11-6-12-24(16-22)21(25)17-7-3-4-8-17/h5,9-10,13,15,17H,3-4,6-8,11-12,14,16H2,1-2H3
InChIKeyAHYIAIZPUKTARJ-UHFFFAOYSA-N
XLogP4.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone?
The IUPAC name of cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone (CID 156602762) is cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone is CN(C)c1cccc(C2=COC3(CCCN(C(=O)C4CCCC4)C3)C2)c1.
What is the InChIKey of cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone?
The InChIKey is AHYIAIZPUKTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(2)20-10-5-9-18(13-20)19-14-22(26-15-19)11-6-12-24(16-22)21(25)17-7-3-4-8-17/h5,9-10,13,15,17H,3-4,6-8,11-12,14,16H2,1-2H3.
What are the key properties of cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone?
cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone has a molecular weight of 354.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[3-(dimethylamino)phenyl]-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl]methanone is sourced from PubChem (CID 156602762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).