(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C17H22FNO3 — CID 124967902

IUPAC(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@H]1CCCOC12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C17H22FNO3/c1-21-15-6-3-11-22-17(15)7-9-19(10-8-17)16(20)13-4-2-5-14(18)12-13/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m0/s1
InChIKeyIWTCTMWUOSWIHI-HNNXBMFYSA-N
MW307.36 g/mol
LogP2.63
Rot. Bonds2

About (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 124967902) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID124967902
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@H]1CCCOC12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C17H22FNO3/c1-21-15-6-3-11-22-17(15)7-9-19(10-8-17)16(20)13-4-2-5-14(18)12-13/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m0/s1
InChIKeyIWTCTMWUOSWIHI-HNNXBMFYSA-N
XLogP2.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97186942
[1-(2-fluorophenyl)cyclopropyl]-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124959803
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186590
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 125021815
(5-fluoro-2-methoxyphenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124978825
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97201836
[3-(3-aminopropoxy)phenyl]-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159866
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
CID 113005055
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124965745

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 124967902) is (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CO[C@H]1CCCOC12CCN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is IWTCTMWUOSWIHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-21-15-6-3-11-22-17(15)7-9-19(10-8-17)16(20)13-4-2-5-14(18)12-13/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 124967902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).