[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

C21H31N3O2 — CID 118744011

IUPAC[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C21H31N3O2/c25-20(23-12-4-5-13-23)24-14-10-21(18-24)9-6-11-22(17-21)15-16-26-19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2
InChIKeyFETHFPJRAKWKPM-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.07
Rot. Bonds4

About [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118744011) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID118744011
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1
InChIInChI=1S/C21H31N3O2/c25-20(23-12-4-5-13-23)24-14-10-21(18-24)9-6-11-22(17-21)15-16-26-19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2
InChIKeyFETHFPJRAKWKPM-UHFFFAOYSA-N
XLogP3.07
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (CID 118744011) is [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC2(CCCN(CCOc3ccccc3)C2)C1.
What is the InChIKey of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FETHFPJRAKWKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(23-12-4-5-13-23)24-14-10-21(18-24)9-6-11-22(17-21)15-16-26-19-7-2-1-3-8-19/h1-3,7-8H,4-6,9-18H2.
What are the key properties of [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 357.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118744011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).