1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone

C21H28FNO3 — CID 91918009

IUPAC1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C21H28FNO3/c22-19-4-2-1-3-17(19)13-20(24)23-10-8-21(9-11-23)14-18(7-12-26-21)25-15-16-5-6-16/h1-4,16,18H,5-15H2
InChIKeyMCIMXUMTEVXSIV-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone

1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 91918009) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
PubChem CID91918009
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C21H28FNO3/c22-19-4-2-1-3-17(19)13-20(24)23-10-8-21(9-11-23)14-18(7-12-26-21)25-15-16-5-6-16/h1-4,16,18H,5-15H2
InChIKeyMCIMXUMTEVXSIV-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone (CID 91918009) is 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is MCIMXUMTEVXSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO3/c22-19-4-2-1-3-17(19)13-20(24)23-10-8-21(9-11-23)14-18(7-12-26-21)25-15-16-5-6-16/h1-4,16,18H,5-15H2.
What are the key properties of 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone?
1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 361.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 91918009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).