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

C15H19FN2O2 — CID 22386706

IUPAC4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)OC(=O)NC2Cc1ccc(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)
InChIKeySBKUBHIUJFUMSB-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.94
Rot. Bonds2

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

4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 22386706) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID22386706
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC2(CC1)OC(=O)NC2Cc1ccc(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)
InChIKeySBKUBHIUJFUMSB-UHFFFAOYSA-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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Related Compounds

Fenspiride
CID 3344
Fenspiride Hydrochloride
CID 68626
(S)-(-)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 10921652
(R)-(+)-4-Benzyl-5,5-dimethyl-2-oxazolidinone
CID 11229494
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(p-fluorophenethyl)-
CID 200022
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-((alpha-methyl)phenethyl)-
CID 199814
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(diphenylmethyl)-
CID 201494
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(3-phenyl)propyl-, hydrochloride
CID 201502
Spiro(oxazolidine-5,4'-piperidine), 4-ethyl-1'-(1,2,3,4-tetrahydro-2-naphthyl)-2-oxo-
CID 207070
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(p-methylphenethyl)-, hydrochloride
CID 212018
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(m-(trifluoromethyl)phenethyl)-, hydrochloride
CID 212022
rac-tert-butyl N-[(3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 57366578

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 22386706) is 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CCC2(CC1)OC(=O)NC2Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SBKUBHIUJFUMSB-UHFFFAOYSA-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).
What are the key properties of 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
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 4-[(4-fluorophenyl)methyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 22386706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).