1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone

C17H24N2O2S — CID 164636350

IUPAC1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC2(C[C@H](N3CCCCC3)CO2)C1
InChIInChI=1S/C17H24N2O2S/c20-16(8-14-4-7-22-11-14)19-12-17(13-19)9-15(10-21-17)18-5-2-1-3-6-18/h4,7,11,15H,1-3,5-6,8-10,12-13H2/t15-/m0/s1
InChIKeyFYYVTWAGFFVRIO-HNNXBMFYSA-N
MW320.46 g/mol
LogP2.15
Rot. Bonds3

About 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone

1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 164636350) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
PubChem CID164636350
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC2(C[C@H](N3CCCCC3)CO2)C1
InChIInChI=1S/C17H24N2O2S/c20-16(8-14-4-7-22-11-14)19-12-17(13-19)9-15(10-21-17)18-5-2-1-3-6-18/h4,7,11,15H,1-3,5-6,8-10,12-13H2/t15-/m0/s1
InChIKeyFYYVTWAGFFVRIO-HNNXBMFYSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone with MolForge

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Related Compounds

2-(4-methoxyphenyl)-1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 164633890
(7R)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813777
(7S)-N,8-dimethyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124813778
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
(7R)-8-(cyclopropylmethyl)-N-methyl-2-(2-thiophen-3-ylacetyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 124798787
1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91792162
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
methyl (2S)-6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129470889

Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone (CID 164636350) is 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CC2(C[C@H](N3CCCCC3)CO2)C1.
What is the InChIKey of 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?
The InChIKey is FYYVTWAGFFVRIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-16(8-14-4-7-22-11-14)19-12-17(13-19)9-15(10-21-17)18-5-2-1-3-6-18/h4,7,11,15H,1-3,5-6,8-10,12-13H2/t15-/m0/s1.
What are the key properties of 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone?
1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 320.46 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 164636350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).