8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C27H27N3O2 — CID 141234209

IUPAC8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C27H27N3O2/c31-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)29-18-16-27(17-19-29)26(32)28-20-30(27)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,28,32)
InChIKeyQKSNOCSHGUUNHU-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.77
Rot. Bonds4

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

8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 141234209) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID141234209
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C27H27N3O2/c31-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)29-18-16-27(17-19-29)26(32)28-20-30(27)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,28,32)
InChIKeyQKSNOCSHGUUNHU-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 141234209) is 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is QKSNOCSHGUUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)29-18-16-27(17-19-29)26(32)28-20-30(27)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,28,32).
What are the key properties of 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 425.53 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 141234209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).