1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one

C21H29FN2O2 — CID 142103340

IUPAC1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one
SMILESO=C(CCCN1CCOCC1)N1CCC[C@]2(CC2c2ccc(F)cc2)C1
InChIInChI=1S/C21H29FN2O2/c22-18-6-4-17(5-7-18)19-15-21(19)8-2-10-24(16-21)20(25)3-1-9-23-11-13-26-14-12-23/h4-7,19H,1-3,8-16H2/t19?,21-/m0/s1
InChIKeyLSSOKTVSJPGCNX-QWAKEFERSA-N
MW360.47 g/mol
LogP3.03
Rot. Bonds5

About 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one

1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one (PubChem CID 142103340) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one
PubChem CID142103340
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one
SMILESO=C(CCCN1CCOCC1)N1CCC[C@]2(CC2c2ccc(F)cc2)C1
InChIInChI=1S/C21H29FN2O2/c22-18-6-4-17(5-7-18)19-15-21(19)8-2-10-24(16-21)20(25)3-1-9-23-11-13-26-14-12-23/h4-7,19H,1-3,8-16H2/t19?,21-/m0/s1
InChIKeyLSSOKTVSJPGCNX-QWAKEFERSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one (CID 142103340) is 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one is O=C(CCCN1CCOCC1)N1CCC[C@]2(CC2c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one?
The InChIKey is LSSOKTVSJPGCNX-QWAKEFERSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-18-6-4-17(5-7-18)19-15-21(19)8-2-10-24(16-21)20(25)3-1-9-23-11-13-26-14-12-23/h4-7,19H,1-3,8-16H2/t19?,21-/m0/s1.
What are the key properties of 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one?
1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 360.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-(4-fluorophenyl)-5-azaspiro[2.5]octan-5-yl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 142103340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).