[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C26H30ClNO4 — CID 125015462

IUPAC[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C26H30ClNO4/c27-21-8-6-20(7-9-21)26(12-16-30-17-13-26)24(29)28-14-10-25(11-15-28)18-23(19-31-25)32-22-4-2-1-3-5-22/h1-9,23H,10-19H2/t23-/m1/s1
InChIKeyWTUPFGIUEIPKKM-HSZRJFAPSA-N
MW455.98 g/mol
LogP4.62
Rot. Bonds4

About [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 125015462) has the molecular formula C26H30ClNO4 and a molecular weight of 455.98 g/mol. Its IUPAC name is [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID125015462
Molecular FormulaC26H30ClNO4
Molecular Weight455.98 g/mol
Exact Mass455.19
IUPAC Name[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESO=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C26H30ClNO4/c27-21-8-6-20(7-9-21)26(12-16-30-17-13-26)24(29)28-14-10-25(11-15-28)18-23(19-31-25)32-22-4-2-1-3-5-22/h1-9,23H,10-19H2/t23-/m1/s1
InChIKeyWTUPFGIUEIPKKM-HSZRJFAPSA-N
XLogP4.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.98
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 129459441
[(3R,5S)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-phenyloxan-4-yl)methanone
CID 110150503
[(3aS,4S,6aR)-4-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[4-(4-chlorophenyl)oxan-4-yl]methanone
CID 110138732
2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97488515
2-(4-chlorophenyl)-1-[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]ethanone
CID 78891083
3-benzyl-7-[4-(4-chlorophenyl)oxane-4-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110148619
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]oxan-4-yl]-morpholin-4-ylmethanone
CID 68578403
[3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 110148680
[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 125019143
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(4-chlorophenyl)oxan-4-yl]methanone
CID 126810716

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 125015462) is [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is WTUPFGIUEIPKKM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30ClNO4/c27-21-8-6-20(7-9-21)26(12-16-30-17-13-26)24(29)28-14-10-25(11-15-28)18-23(19-31-25)32-22-4-2-1-3-5-22/h1-9,23H,10-19H2/t23-/m1/s1.
What are the key properties of [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 455.98 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 125015462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).