(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H25FN2O2 — CID 134080148

IUPAC(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CC(N1CCCC1)CO2
InChIInChI=1S/C19H25FN2O2/c20-16-5-3-4-15(12-16)18(23)22-10-6-19(7-11-22)13-17(14-24-19)21-8-1-2-9-21/h3-5,12,17H,1-2,6-11,13-14H2
InChIKeyDAAZIIPWWIUXLF-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.69
Rot. Bonds2

About (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 134080148) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID134080148
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CC(N1CCCC1)CO2
InChIInChI=1S/C19H25FN2O2/c20-16-5-3-4-15(12-16)18(23)22-10-6-19(7-11-22)13-17(14-24-19)21-8-1-2-9-21/h3-5,12,17H,1-2,6-11,13-14H2
InChIKeyDAAZIIPWWIUXLF-UHFFFAOYSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-[(3S)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385574
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
furan-2-yl-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131647701
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
[4-(dimethylamino)phenyl]-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131648723
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
1-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 155879884
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
CID 113005055

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 134080148) is (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cccc(F)c1)N1CCC2(CC1)CC(N1CCCC1)CO2.
What is the InChIKey of (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is DAAZIIPWWIUXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-5-3-4-15(12-16)18(23)22-10-6-19(7-11-22)13-17(14-24-19)21-8-1-2-9-21/h3-5,12,17H,1-2,6-11,13-14H2.
What are the key properties of (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
(3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 332.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 134080148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).