(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane

C21H25FN2O2 — CID 110159382

IUPAC(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cccnc1CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1
InChIInChI=1S/C21H25FN2O2/c22-18-8-4-11-23-19(18)14-24-12-9-20(21(16-24)10-5-13-26-21)25-15-17-6-2-1-3-7-17/h1-4,6-8,11,20H,5,9-10,12-16H2/t20-,21-/m0/s1
InChIKeyWWAOUVDFKRDEPO-SFTDATJTSA-N
MW356.44 g/mol
LogP3.56
Rot. Bonds5

About (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110159382) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID110159382
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
SMILESFc1cccnc1CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1
InChIInChI=1S/C21H25FN2O2/c22-18-8-4-11-23-19(18)14-24-12-9-20(21(16-24)10-5-13-26-21)25-15-17-6-2-1-3-7-17/h1-4,6-8,11,20H,5,9-10,12-16H2/t20-,21-/m0/s1
InChIKeyWWAOUVDFKRDEPO-SFTDATJTSA-N
XLogP3.56
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

(5S,6S)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane
CID 110159273
(5S,9S)-7-(1H-imidazol-2-ylmethyl)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110155638
(3S,4S)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-4-phenoxypiperidin-3-ol
CID 110145963
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 175655212
(5R,9R)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonane
CID 110160739
2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167128
(4S,6S)-2-benzyl-4-ethoxy-8-[(3-fluoro-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 155988632
N-(3-fluoro-4-methylphenyl)-2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 124988131
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371
(5S,6S)-9-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156267
2-[(5S,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 129456681

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane (CID 110159382) is (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane is Fc1cccnc1CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1.
What is the InChIKey of (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is WWAOUVDFKRDEPO-SFTDATJTSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-8-4-11-23-19(18)14-24-12-9-20(21(16-24)10-5-13-26-21)25-15-17-6-2-1-3-7-17/h1-4,6-8,11,20H,5,9-10,12-16H2/t20-,21-/m0/s1.
What are the key properties of (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 356.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-9-[(3-fluoro-2-pyridinyl)methyl]-6-phenylmethoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110159382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).