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

C23H27FN2O2 — CID 155986291

IUPAC4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(Cc3cccc(F)c3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H27FN2O2/c24-21-9-4-8-20(14-21)15-25-12-5-10-23(11-13-25)18-26(22(27)17-28-23)16-19-6-2-1-3-7-19/h1-4,6-9,14H,5,10-13,15-18H2
InChIKeyIMLXIGQQPLHDIT-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.61
Rot. Bonds4

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

4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155986291) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155986291
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(Cc3cccc(F)c3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H27FN2O2/c24-21-9-4-8-20(14-21)15-25-12-5-10-23(11-13-25)18-26(22(27)17-28-23)16-19-6-2-1-3-7-19/h1-4,6-9,14H,5,10-13,15-18H2
InChIKeyIMLXIGQQPLHDIT-UHFFFAOYSA-N
XLogP3.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110148465
4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984327
4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
(6S)-4-benzyl-10-[3-(imidazol-1-ylmethyl)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454495
4-(3-fluorophenyl)-9-[(4-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985981
4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986230
9-(3-fluorophenyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451051
9-[(3-fluorophenyl)methyl]-1-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 131682811
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155986291) is 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1COC2(CCCN(Cc3cccc(F)c3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is IMLXIGQQPLHDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-21-9-4-8-20(14-21)15-25-12-5-10-23(11-13-25)18-26(22(27)17-28-23)16-19-6-2-1-3-7-19/h1-4,6-9,14H,5,10-13,15-18H2.
What are the key properties of 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 382.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155986291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).