9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H24FN3O2 — CID 162637257

IUPAC9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C3CCN(c4ccc(F)cc4)C3)CC2)CN1
InChIInChI=1S/C18H24FN3O2/c19-14-1-3-15(4-2-14)22-8-5-16(11-22)21-9-6-18(7-10-21)13-20-17(23)12-24-18/h1-4,16H,5-13H2,(H,20,23)
InChIKeyOCKMTQPCTIJIEB-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.39
Rot. Bonds2

About 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162637257) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162637257
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(C3CCN(c4ccc(F)cc4)C3)CC2)CN1
InChIInChI=1S/C18H24FN3O2/c19-14-1-3-15(4-2-14)22-8-5-16(11-22)21-9-6-18(7-10-21)13-20-17(23)12-24-18/h1-4,16H,5-13H2,(H,20,23)
InChIKeyOCKMTQPCTIJIEB-UHFFFAOYSA-N
XLogP1.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162637257) is 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(C3CCN(c4ccc(F)cc4)C3)CC2)CN1.
What is the InChIKey of 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OCKMTQPCTIJIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-14-1-3-15(4-2-14)22-8-5-16(11-22)21-9-6-18(7-10-21)13-20-17(23)12-24-18/h1-4,16H,5-13H2,(H,20,23).
What are the key properties of 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 333.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162637257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).