[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone

C18H25FN4O2 — CID 134077803

IUPAC[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
SMILESO=C(C1CCNN1)N1CCOC2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H25FN4O2/c19-14-3-1-4-15(11-14)22-8-2-6-18(12-22)13-23(9-10-25-18)17(24)16-5-7-20-21-16/h1,3-4,11,16,20-21H,2,5-10,12-13H2
InChIKeyDCOKJSAUXYPWEL-UHFFFAOYSA-N
MW348.42 g/mol
LogP0.89
Rot. Bonds2

About [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone

[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone (PubChem CID 134077803) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone.

Molecular Properties

Compound Name[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
PubChem CID134077803
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
SMILESO=C(C1CCNN1)N1CCOC2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H25FN4O2/c19-14-3-1-4-15(11-14)22-8-2-6-18(12-22)13-23(9-10-25-18)17(24)16-5-7-20-21-16/h1,3-4,11,16,20-21H,2,5-10,12-13H2
InChIKeyDCOKJSAUXYPWEL-UHFFFAOYSA-N
XLogP0.89
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976
[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone
CID 134070402
8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 131650245
8-(3-fluorophenyl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747256
(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372362
pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134070411
[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97451949
[(6S)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97492105
(1-methylpyrrol-2-yl)-(8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131656576
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043
[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
CID 138016083

Frequently Asked Questions

What is the IUPAC name of [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone?
The IUPAC name of [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone (CID 134077803) is [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone.
What is the SMILES notation for [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone?
The canonical SMILES for [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone is O=C(C1CCNN1)N1CCOC2(CCCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone?
The InChIKey is DCOKJSAUXYPWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-14-3-1-4-15(11-14)22-8-2-6-18(12-22)13-23(9-10-25-18)17(24)16-5-7-20-21-16/h1,3-4,11,16,20-21H,2,5-10,12-13H2.
What are the key properties of [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone?
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone has a molecular weight of 348.42 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone is sourced from PubChem (CID 134077803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).