(4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane

C24H31FN4O3 — CID 171460683

IUPAC(4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane
SMILESFc1ccc(C2CCOCC2)c(C2CCN(C3CC[C@]4(C3)CN(c3nnco3)O4)CC2)c1
InChIInChI=1S/C24H31FN4O3/c25-19-1-2-21(18-6-11-30-12-7-18)22(13-19)17-4-9-28(10-5-17)20-3-8-24(14-20)15-29(32-24)23-27-26-16-31-23/h1-2,13,16-18,20H,3-12,14-15H2/t20?,24-/m0/s1
InChIKeyXSGRDBGBYZNDSI-JWIMYKKASA-N
MW442.54 g/mol
LogP4.03
Rot. Bonds4

About (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane

(4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane (PubChem CID 171460683) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane
PubChem CID171460683
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name(4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane
SMILESFc1ccc(C2CCOCC2)c(C2CCN(C3CC[C@]4(C3)CN(c3nnco3)O4)CC2)c1
InChIInChI=1S/C24H31FN4O3/c25-19-1-2-21(18-6-11-30-12-7-18)22(13-19)17-4-9-28(10-5-17)20-3-8-24(14-20)15-29(32-24)23-27-26-16-31-23/h1-2,13,16-18,20H,3-12,14-15H2/t20?,24-/m0/s1
InChIKeyXSGRDBGBYZNDSI-JWIMYKKASA-N
XLogP4.03
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

(7S)-7-[4-(2-butoxy-5-fluorophenyl)piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octane
CID 166512107
4-[2-[1-[(6R)-2-(1,3,4-oxadiazol-2-yl)-2-azaspiro[3.4]octan-6-yl]piperidin-4-yl]phenyl]cyclohexan-1-ol
CID 158525619
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
CID 114708531
4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine
CID 58772339
7-fluoro-N-(7-oxaspiro[3.5]nonan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 136551922
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
(7S)-N-(5-fluoro-2-spiro[3.3]heptan-2-yloxyphenyl)-2-(1,3,4-oxadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-7-amine
CID 167264081
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
CID 95810440
7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
CID 167679399
1'-cyclopropyl-7-fluorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 114715692
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519

Frequently Asked Questions

What is the IUPAC name of (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane (CID 171460683) is (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane is Fc1ccc(C2CCOCC2)c(C2CCN(C3CC[C@]4(C3)CN(c3nnco3)O4)CC2)c1.
What is the InChIKey of (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane?
The InChIKey is XSGRDBGBYZNDSI-JWIMYKKASA-N. The full InChI is InChI=1S/C24H31FN4O3/c25-19-1-2-21(18-6-11-30-12-7-18)22(13-19)17-4-9-28(10-5-17)20-3-8-24(14-20)15-29(32-24)23-27-26-16-31-23/h1-2,13,16-18,20H,3-12,14-15H2/t20?,24-/m0/s1.
What are the key properties of (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane?
(4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane has a molecular weight of 442.54 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-[4-[5-fluoro-2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-(1,3,4-oxadiazol-2-yl)-1-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 171460683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).