(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H19FN2O2 — CID 67527341

IUPAC(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)OC(=O)N[C@H]2Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-18-8-6-15(7-9-18)13(17-14(19)20-15)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeySBKUBHIUJFUMSB-ZDUSSCGKSA-N
MW278.33 g/mol
LogP1.94
Rot. Bonds2

About (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 67527341) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID67527341
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)OC(=O)N[C@H]2Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-18-8-6-15(7-9-18)13(17-14(19)20-15)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeySBKUBHIUJFUMSB-ZDUSSCGKSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 67527341) is (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CCC2(CC1)OC(=O)N[C@H]2Cc1ccc(F)cc1.
What is the InChIKey of (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SBKUBHIUJFUMSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-18-8-6-15(7-9-18)13(17-14(19)20-15)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
(4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 67527341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).