(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

C19H27FN2O3 — CID 97419274

IUPAC(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccnc1O[C@@H]1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C19H27FN2O3/c20-17-2-1-7-21-18(17)25-16-12-19(24-14-16)5-8-22(9-6-19)13-15-3-10-23-11-4-15/h1-2,7,15-16H,3-6,8-14H2/t16-/m0/s1
InChIKeyZZGOVTVAQPOAOV-INIZCTEOSA-N
MW350.43 g/mol
LogP2.65
Rot. Bonds4

About (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane

(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 97419274) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID97419274
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
SMILESFc1cccnc1O[C@@H]1COC2(CCN(CC3CCOCC3)CC2)C1
InChIInChI=1S/C19H27FN2O3/c20-17-2-1-7-21-18(17)25-16-12-19(24-14-16)5-8-22(9-6-19)13-15-3-10-23-11-4-15/h1-2,7,15-16H,3-6,8-14H2/t16-/m0/s1
InChIKeyZZGOVTVAQPOAOV-INIZCTEOSA-N
XLogP2.65
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane (CID 97419274) is (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is Fc1cccnc1O[C@@H]1COC2(CCN(CC3CCOCC3)CC2)C1.
What is the InChIKey of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZZGOVTVAQPOAOV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-17-2-1-7-21-18(17)25-16-12-19(24-14-16)5-8-22(9-6-19)13-15-3-10-23-11-4-15/h1-2,7,15-16H,3-6,8-14H2/t16-/m0/s1.
What are the key properties of (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane?
(3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 350.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-fluoro-2-pyridinyl)oxy]-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97419274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).