8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C26H27N3O2 — CID 11811722

IUPAC8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2
InChIInChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)
InChIKeySKVXOYIMICHFPV-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.41
Rot. Bonds5

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

8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 11811722) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID11811722
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2
InChIInChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30)
InChIKeySKVXOYIMICHFPV-UHFFFAOYSA-N
XLogP4.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-(4-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 68186
N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9156648
N-[4-(4-methylphenoxy)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 9361165
4-[[3-(4-methoxyphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 11553493
4-[[3-(4-tert-butylphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 11568461
4-[(3-phenoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11682511
4-[[3-(4-methylphenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 11704069
8-(3-Phenoxy-propyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 14968319
(Z)-5-(4-(pyrrolidin-1-ylmethyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983730
(Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983733
(Z)-5-(4-(azepan-1-ylmethyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983862
(Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
CID 15983864

Frequently Asked Questions

What is the IUPAC name of 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 11811722) is 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2.
What is the InChIKey of 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is SKVXOYIMICHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25-26(29(20-27-25)22-9-3-1-4-10-22)14-16-28(17-15-26)19-21-8-7-13-24(18-21)31-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2,(H,27,30).
What are the key properties of 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 413.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-phenoxyphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 11811722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).