10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C24H29FN2O2 — CID 110148465

IUPAC10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(Cc3ccccc3F)CC2)CN1CCc1ccccc1
InChIInChI=1S/C24H29FN2O2/c25-22-10-5-4-9-21(22)17-26-14-6-12-24(13-16-26)19-27(23(28)18-29-24)15-11-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2
InChIKeyZDTXZLZRNUISSF-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.65
Rot. Bonds5

About 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 110148465) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID110148465
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(Cc3ccccc3F)CC2)CN1CCc1ccccc1
InChIInChI=1S/C24H29FN2O2/c25-22-10-5-4-9-21(22)17-26-14-6-12-24(13-16-26)19-27(23(28)18-29-24)15-11-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2
InChIKeyZDTXZLZRNUISSF-UHFFFAOYSA-N
XLogP3.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-fluorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985914
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984327
4-(4-fluorophenyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562454
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
10-[(2,4-dimethylphenyl)methyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986318
9-[(2-chlorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986013
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
4-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;tris(2,2,2-trifluoroacetic acid)
CID 155840249

Frequently Asked Questions

What is the IUPAC name of 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 110148465) is 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1COC2(CCCN(Cc3ccccc3F)CC2)CN1CCc1ccccc1.
What is the InChIKey of 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is ZDTXZLZRNUISSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-22-10-5-4-9-21(22)17-26-14-6-12-24(13-16-26)19-27(23(28)18-29-24)15-11-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2.
What are the key properties of 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 396.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 110148465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).