8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C23H26ClN3O — CID 10548749

IUPAC8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2
InChIInChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
InChIKeyXYFWBDPFFPDLGC-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.63
Rot. Bonds2

About 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10548749) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10548749
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2
InChIInChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28)
InChIKeyXYFWBDPFFPDLGC-UHFFFAOYSA-N
XLogP3.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ND1251
CID 9844019
8-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10763594
R-6890 (spirochlorphine)
CID 14783734
8-(4,4-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-3-[2-(propylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190615
8-(4,4-Dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-3-[2-(prop-2-en-1-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190616
3-[2-(Butylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190622
3-[2-(Butylamino)ethyl]-8-(6-chloro-4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190629
8-[Bis(2-chlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 9806799
8-[Bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 9934232
8-(Diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 15541261
8-(7-Fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 18782352
3-(2-Aminoethyl)-8-[bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190585

Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 10548749) is 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCc3ccc(Cl)cc3C1)CC2.
What is the InChIKey of 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is XYFWBDPFFPDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c24-19-8-6-17-7-9-21(15-18(17)14-19)26-12-10-23(11-13-26)22(28)25-16-27(23)20-4-2-1-3-5-20/h1-6,8,14,21H,7,9-13,15-16H2,(H,25,28).
What are the key properties of 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 395.93 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10548749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).