8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

C27H34N2O3 — CID 21082562

IUPAC8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cccc(C2(O)CCCCC2N2CCC3(CC2)C(=O)NCC3c2ccccc2)c1
InChIInChI=1S/C27H34N2O3/c1-32-22-11-7-10-21(18-22)27(31)13-6-5-12-24(27)29-16-14-26(15-17-29)23(19-28-25(26)30)20-8-3-2-4-9-20/h2-4,7-11,18,23-24,31H,5-6,12-17,19H2,1H3,(H,28,30)
InChIKeyWLSHLUSAEVHZGP-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.82
Rot. Bonds4

About 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one

8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 21082562) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID21082562
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cccc(C2(O)CCCCC2N2CCC3(CC2)C(=O)NCC3c2ccccc2)c1
InChIInChI=1S/C27H34N2O3/c1-32-22-11-7-10-21(18-22)27(31)13-6-5-12-24(27)29-16-14-26(15-17-29)23(19-28-25(26)30)20-8-3-2-4-9-20/h2-4,7-11,18,23-24,31H,5-6,12-17,19H2,1H3,(H,28,30)
InChIKeyWLSHLUSAEVHZGP-UHFFFAOYSA-N
XLogP3.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 21082562) is 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is COc1cccc(C2(O)CCCCC2N2CCC3(CC2)C(=O)NCC3c2ccccc2)c1.
What is the InChIKey of 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WLSHLUSAEVHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-32-22-11-7-10-21(18-22)27(31)13-6-5-12-24(27)29-16-14-26(15-17-29)23(19-28-25(26)30)20-8-3-2-4-9-20/h2-4,7-11,18,23-24,31H,5-6,12-17,19H2,1H3,(H,28,30).
What are the key properties of 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 434.58 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 21082562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).