1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one

C26H33N3O — CID 18441785

IUPAC1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(Cc2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C26H33N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2,(H,27,30)
InChIKeyHXGRTZSUDATKPJ-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.14
Rot. Bonds4

About 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 18441785) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID18441785
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(Cc2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2
InChIInChI=1S/C26H33N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2,(H,27,30)
InChIKeyHXGRTZSUDATKPJ-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 18441785) is 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(Cc2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2.
What is the InChIKey of 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is HXGRTZSUDATKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c30-25-26(29(20-27-25)19-21-9-3-1-4-10-21)15-17-28(18-16-26)24-14-8-7-13-23(24)22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-20H2,(H,27,30).
What are the key properties of 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 403.57 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(2-phenylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 18441785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).