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

C25H28ClNO3 — CID 129459441

IUPAC[1-(4-chlorophenyl)cyclobutyl]-[(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)CCC1
InChIInChI=1S/C25H28ClNO3/c26-20-9-7-19(8-10-20)25(11-4-12-25)23(28)27-15-13-24(14-16-27)17-22(18-29-24)30-21-5-2-1-3-6-21/h1-3,5-10,22H,4,11-18H2/t22-/m1/s1
InChIKeyXMBIBXCIMZFFJD-JOCHJYFZSA-N
MW425.96 g/mol
LogP4.99
Rot. Bonds4

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

[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 129459441) has the molecular formula C25H28ClNO3 and a molecular weight of 425.96 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID129459441
Molecular FormulaC25H28ClNO3
Molecular Weight425.96 g/mol
Exact Mass425.18
IUPAC Name[1-(4-chlorophenyl)cyclobutyl]-[(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)CCC1
InChIInChI=1S/C25H28ClNO3/c26-20-9-7-19(8-10-20)25(11-4-12-25)23(28)27-15-13-24(14-16-27)17-22(18-29-24)30-21-5-2-1-3-6-21/h1-3,5-10,22H,4,11-18H2/t22-/m1/s1
InChIKeyXMBIBXCIMZFFJD-JOCHJYFZSA-N
XLogP4.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)oxan-4-yl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 125015462
[(3R,5S)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-phenyloxan-4-yl)methanone
CID 110150503
2,2-dimethyl-1-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 97488515
[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 125019143
[3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 110148680
(3S)-8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane
CID 97488488
8-(cyclobutylmethyl)-3-phenoxy-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155856222
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
[(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
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 129459441) is [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclobutyl]-[(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)CCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is XMBIBXCIMZFFJD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28ClNO3/c26-20-9-7-19(8-10-20)25(11-4-12-25)23(28)27-15-13-24(14-16-27)17-22(18-29-24)30-21-5-2-1-3-6-21/h1-3,5-10,22H,4,11-18H2/t22-/m1/s1.
What are the key properties of [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 425.96 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 129459441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).