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

C27H34N2O — CID 11750018

IUPAC8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1
InChIInChI=1S/C27H34N2O/c1-21-10-6-7-13-23(21)27(14-8-3-9-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-11-4-2-5-12-22/h2,4-7,10-13,24H,3,8-9,14-20H2,1H3,(H,28,30)
InChIKeyPXMMGWMSXWPJKX-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.15
Rot. Bonds3

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

8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 11750018) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID11750018
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1
InChIInChI=1S/C27H34N2O/c1-21-10-6-7-13-23(21)27(14-8-3-9-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-11-4-2-5-12-22/h2,4-7,10-13,24H,3,8-9,14-20H2,1H3,(H,28,30)
InChIKeyPXMMGWMSXWPJKX-UHFFFAOYSA-N
XLogP5.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-8-[1-[4-(trifluoromethyl)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one;hydrofluoride
CID 45263437
4-phenyl-8-(3-phenyloxan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 11257803
4-(4-fluorophenyl)-8-[1-(4-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11452904
8-[1-(4-fluorophenyl)cyclohexyl]-4-(4-methylphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 11441561
4-(4-fluorophenyl)-8-(1-thiophen-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 11269915
4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026
(4S,5R)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 141350023
8-(6-methylpyridine-3-carbonyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 131662428
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785
benzyl (4R)-1-oxo-4-phenyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 124560426
4-phenyl-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131657294
1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
CID 95475360

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 11750018) is 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is Cc1ccccc1C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1.
What is the InChIKey of 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PXMMGWMSXWPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-21-10-6-7-13-23(21)27(14-8-3-9-15-27)29-18-16-26(17-19-29)24(20-28-25(26)30)22-11-4-2-5-12-22/h2,4-7,10-13,24H,3,8-9,14-20H2,1H3,(H,28,30).
What are the key properties of 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 402.58 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11750018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).