[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

C19H25FN2O3 — CID 97451949

IUPAC[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CN(c2cccc(F)c2)CC12CCOCC2)N1CCOCC1
InChIInChI=1S/C19H25FN2O3/c20-15-2-1-3-16(12-15)22-13-17(18(23)21-6-10-25-11-7-21)19(14-22)4-8-24-9-5-19/h1-3,12,17H,4-11,13-14H2/t17-/m1/s1
InChIKeyJDGVUVAPELSHTM-QGZVFWFLSA-N
MW348.42 g/mol
LogP1.92
Rot. Bonds2

About [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone

[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (PubChem CID 97451949) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
PubChem CID97451949
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@H]1CN(c2cccc(F)c2)CC12CCOCC2)N1CCOCC1
InChIInChI=1S/C19H25FN2O3/c20-15-2-1-3-16(12-15)22-13-17(18(23)21-6-10-25-11-7-21)19(14-22)4-8-24-9-5-19/h1-3,12,17H,4-11,13-14H2/t17-/m1/s1
InChIKeyJDGVUVAPELSHTM-QGZVFWFLSA-N
XLogP1.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
[(4R)-2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375369
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829085
2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643
morpholin-4-yl-[(4R)-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 97375379
[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375381
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone (CID 97451949) is [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is O=C([C@H]1CN(c2cccc(F)c2)CC12CCOCC2)N1CCOCC1.
What is the InChIKey of [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JDGVUVAPELSHTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-15-2-1-3-16(12-15)22-13-17(18(23)21-6-10-25-11-7-21)19(14-22)4-8-24-9-5-19/h1-3,12,17H,4-11,13-14H2/t17-/m1/s1.
What are the key properties of [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone?
[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 348.42 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97451949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).