[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid

C23H30F4N2O4 — CID 155868249

IUPAC[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C([C@H]1CCCO1)N1CCCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O2.C2HF3O2/c22-18-7-5-17(6-8-18)16-24-13-3-10-21(24)9-2-12-23(14-11-21)20(25)19-4-1-15-26-19;3-2(4,5)1(6)7/h5-8,19H,1-4,9-16H2;(H,6,7)/t19-,21?;/m1./s1
InChIKeyVWOIMSGJLXQTNT-YYNYCHCGSA-N
MW474.50 g/mol
LogP3.99
Rot. Bonds3

About [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid

[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155868249) has the molecular formula C23H30F4N2O4 and a molecular weight of 474.50 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155868249
Molecular FormulaC23H30F4N2O4
Molecular Weight474.50 g/mol
Exact Mass474.21
IUPAC Name[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C([C@H]1CCCO1)N1CCCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O2.C2HF3O2/c22-18-7-5-17(6-8-18)16-24-13-3-10-21(24)9-2-12-23(14-11-21)20(25)19-4-1-15-26-19;3-2(4,5)1(6)7/h5-8,19H,1-4,9-16H2;(H,6,7)/t19-,21?;/m1./s1
InChIKeyVWOIMSGJLXQTNT-YYNYCHCGSA-N
XLogP3.99
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855870
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
[4-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(2S)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833466
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616
cyclopropyl-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97396364
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
CID 134070329
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 155868249) is [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C([C@H]1CCCO1)N1CCCC2(CCCN2Cc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is VWOIMSGJLXQTNT-YYNYCHCGSA-N. The full InChI is InChI=1S/C21H29FN2O2.C2HF3O2/c22-18-7-5-17(6-8-18)16-24-13-3-10-21(24)9-2-12-23(14-11-21)20(25)19-4-1-15-26-19;3-2(4,5)1(6)7/h5-8,19H,1-4,9-16H2;(H,6,7)/t19-,21?;/m1./s1.
What are the key properties of [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid?
[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 474.50 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155868249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).