2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

C21H30N2O2 — CID 118742431

IUPAC2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1CC1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C21H30N2O2/c24-20(15-18-7-8-18)23-12-10-21(17-23)9-4-11-22(16-21)13-14-25-19-5-2-1-3-6-19/h1-3,5-6,18H,4,7-17H2
InChIKeyJBDFTOBZAFVNLU-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.18
Rot. Bonds6

About 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone

2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 118742431) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID118742431
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
SMILESO=C(CC1CC1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C21H30N2O2/c24-20(15-18-7-8-18)23-12-10-21(17-23)9-4-11-22(16-21)13-14-25-19-5-2-1-3-6-19/h1-3,5-6,18H,4,7-17H2
InChIKeyJBDFTOBZAFVNLU-UHFFFAOYSA-N
XLogP3.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone (CID 118742431) is 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is O=C(CC1CC1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is JBDFTOBZAFVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(15-18-7-8-18)23-12-10-21(17-23)9-4-11-22(16-21)13-14-25-19-5-2-1-3-6-19/h1-3,5-6,18H,4,7-17H2.
What are the key properties of 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone?
2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 342.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 118742431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).