[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone

C20H29FN4O2 — CID 134070402

IUPAC[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone
SMILESCC1CC(C(=O)N2CCCC3(COCCN(c4cccc(F)c4)C3)C2)NN1
InChIInChI=1S/C20H29FN4O2/c1-15-10-18(23-22-15)19(26)25-7-3-6-20(13-25)12-24(8-9-27-14-20)17-5-2-4-16(21)11-17/h2,4-5,11,15,18,22-23H,3,6-10,12-14H2,1H3
InChIKeyIMLOIDMEUUQTFS-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.53
Rot. Bonds2

About [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone

[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone (PubChem CID 134070402) has the molecular formula C20H29FN4O2 and a molecular weight of 376.48 g/mol. Its IUPAC name is [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone
PubChem CID134070402
Molecular FormulaC20H29FN4O2
Molecular Weight376.48 g/mol
Exact Mass376.23
IUPAC Name[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone
SMILESCC1CC(C(=O)N2CCCC3(COCCN(c4cccc(F)c4)C3)C2)NN1
InChIInChI=1S/C20H29FN4O2/c1-15-10-18(23-22-15)19(26)25-7-3-6-20(13-25)12-24(8-9-27-14-20)17-5-2-4-16(21)11-17/h2,4-5,11,15,18,22-23H,3,6-10,12-14H2,1H3
InChIKeyIMLOIDMEUUQTFS-UHFFFAOYSA-N
XLogP1.53
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(6S)-11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrazol-5-yl)methanone
CID 97494647
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
CID 134077803
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 131656391
pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134070411
11-(3-fluorophenyl)-2-[(1-methylimidazol-2-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155856750
3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
CID 155874159
[11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1H-pyrrol-2-yl)methanone
CID 134070429
(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-quinolin-8-ylmethanone
CID 134072815
(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684903
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141

Frequently Asked Questions

What is the IUPAC name of [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone?
The IUPAC name of [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone (CID 134070402) is [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone?
The canonical SMILES for [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone is CC1CC(C(=O)N2CCCC3(COCCN(c4cccc(F)c4)C3)C2)NN1.
What is the InChIKey of [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone?
The InChIKey is IMLOIDMEUUQTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O2/c1-15-10-18(23-22-15)19(26)25-7-3-6-20(13-25)12-24(8-9-27-14-20)17-5-2-4-16(21)11-17/h2,4-5,11,15,18,22-23H,3,6-10,12-14H2,1H3.
What are the key properties of [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone?
[11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone has a molecular weight of 376.48 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(3-fluorophenyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(5-methylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 134070402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).