2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

C21H36N2O2 — CID 131654189

IUPAC2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCCC2(CCN(CC3CCCO3)CC2)C1
InChIInChI=1S/C21H36N2O2/c24-20(15-18-5-1-2-6-18)23-11-4-8-21(17-23)9-12-22(13-10-21)16-19-7-3-14-25-19/h18-19H,1-17H2
InChIKeyXPSYVPOYOXJJOD-UHFFFAOYSA-N
MW348.53 g/mol
LogP3.45
Rot. Bonds4

About 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (PubChem CID 131654189) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
PubChem CID131654189
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCCC2(CCN(CC3CCCO3)CC2)C1
InChIInChI=1S/C21H36N2O2/c24-20(15-18-5-1-2-6-18)23-11-4-8-21(17-23)9-12-22(13-10-21)16-19-7-3-14-25-19/h18-19H,1-17H2
InChIKeyXPSYVPOYOXJJOD-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (CID 131654189) is 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is O=C(CC1CCCC1)N1CCCC2(CCN(CC3CCCO3)CC2)C1.
What is the InChIKey of 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The InChIKey is XPSYVPOYOXJJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2/c24-20(15-18-5-1-2-6-18)23-11-4-8-21(17-23)9-12-22(13-10-21)16-19-7-3-14-25-19/h18-19H,1-17H2.
What are the key properties of 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone has a molecular weight of 348.53 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is sourced from PubChem (CID 131654189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).