(4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C17H22FNO3 — CID 91917972

IUPAC(4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H22FNO3/c1-21-15-6-11-22-17(12-15)7-9-19(10-8-17)16(20)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3
InChIKeyODDRAHKUWJWUEB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.63
Rot. Bonds2

About (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91917972) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91917972
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H22FNO3/c1-21-15-6-11-22-17(12-15)7-9-19(10-8-17)16(20)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3
InChIKeyODDRAHKUWJWUEB-UHFFFAOYSA-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

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Related Compounds

N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
Ethyl 1-(2,6-difluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46943904
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
N-Benzyl-N-cyclopropyl-9-(3-fluoro-4-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91908294
{4-[(1-Benzyl-4-piperidyl)oxy]piperidino}(2,6-difluorophenyl)methanone
CID 91916473
4-[(1-Benzylpiperidin-4-YL)oxy]-1-(4-fluorobenzoyl)piperidine
CID 91916474
9-Benzoyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919146
4-[(4-Fluorophenyl)methyl]-9-(3-methylbenzoyl)-1-oxa-9-azaspiro[5.5]undecane
CID 124053246
(2-Methoxypiperidin-1-yl)-phenylmethanone
CID 359208

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91917972) is (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COC1CCOC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ODDRAHKUWJWUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-21-15-6-11-22-17(12-15)7-9-19(10-8-17)16(20)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3.
What are the key properties of (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(4-fluorophenyl)-(4-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 (4-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91917972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).