1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone

C19H22N2O3S — CID 97419217

IUPAC1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2
InChIInChI=1S/C19H22N2O3S/c22-18(11-15-4-10-25-14-15)21-8-5-19(6-9-21)12-16(13-23-19)24-17-3-1-2-7-20-17/h1-4,7,10,14,16H,5-6,8-9,11-13H2/t16-/m1/s1
InChIKeyKZXKVWHHAKBMAT-MRXNPFEDSA-N
MW358.46 g/mol
LogP2.91
Rot. Bonds4

About 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone

1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone (PubChem CID 97419217) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
PubChem CID97419217
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2
InChIInChI=1S/C19H22N2O3S/c22-18(11-15-4-10-25-14-15)21-8-5-19(6-9-21)12-16(13-23-19)24-17-3-1-2-7-20-17/h1-4,7,10,14,16H,5-6,8-9,11-13H2/t16-/m1/s1
InChIKeyKZXKVWHHAKBMAT-MRXNPFEDSA-N
XLogP2.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97419194
1-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-thiophen-3-ylethanone
CID 124793677
(3R,5S)-3-pyridin-2-yloxy-7-(thiophen-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155849353
2-pyridin-2-yl-1-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746938
[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97419892
[(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 97420069
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
2-(furan-2-yl)-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419778
(6-methyl-3-pyridinyl)-[(3S)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97419197
2-phenoxy-1-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842885
(3-methylthiophen-2-yl)-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837829
phenyl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850390

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone (CID 97419217) is 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2.
What is the InChIKey of 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
The InChIKey is KZXKVWHHAKBMAT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-18(11-15-4-10-25-14-15)21-8-5-19(6-9-21)12-16(13-23-19)24-17-3-1-2-7-20-17/h1-4,7,10,14,16H,5-6,8-9,11-13H2/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone has a molecular weight of 358.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97419217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).