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

C15H18FNO2 — CID 124636261

IUPAC(3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)C[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c16-13-3-1-11(2-4-13)9-12-10-15(19-14(12)18)5-7-17-8-6-15/h1-4,12,17H,5-10H2/t12-/m0/s1
InChIKeyUWMLIFGIRMZIFH-LBPRGKRZSA-N
MW263.31 g/mol
LogP2.05
Rot. Bonds2

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

(3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one (PubChem CID 124636261) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
PubChem CID124636261
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)C[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C15H18FNO2/c16-13-3-1-11(2-4-13)9-12-10-15(19-14(12)18)5-7-17-8-6-15/h1-4,12,17H,5-10H2/t12-/m0/s1
InChIKeyUWMLIFGIRMZIFH-LBPRGKRZSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoromethylphenidate
CID 52944002
(R)-methyl 2-(3-fluorophenyl)-2-((R)-piperidin-2-yl)acetate
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Ethyl 3-(4-fluorobenzyl)piperidine-3-carboxylate
CID 5244024
(R)-methyl 2-(2-fluorophenyl)-2-((R)-piperidin-2-yl)acetate
CID 52946440
2-Piperidineacetic acid, alpha-(4-fluorophenyl)-, methyl ester
CID 70876096
Ethyl 3-(2-fluorobenzyl)piperidine-3-carboxylate
CID 56741227
methyl (3S,4R)-4-(4-fluorophenyl)piperidine-3-carboxylate
CID 11715639
methyl (3R,4R)-4-(4-fluorophenyl)piperidine-3-carboxylate
CID 69602036
Ethyl 3-phenyl-3-(piperidin-4-yl)propanoate hydrochloride
CID 42944937
Tert-butyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate
CID 121553754
Tert-butyl2-[4-(piperidin-4-yl)phenyl]acetate
CID 165742777
4-((2-Carboethoxyethyl)phenyl)piperidine
CID 67111432

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one (CID 124636261) is (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)C[C@@H]1Cc1ccc(F)cc1.
What is the InChIKey of (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is UWMLIFGIRMZIFH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-3-1-11(2-4-13)9-12-10-15(19-14(12)18)5-7-17-8-6-15/h1-4,12,17H,5-10H2/t12-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one?
(3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 263.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 124636261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).