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

C23H27N3O — CID 10713623

IUPAC1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2
InChIInChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m0/s1
InChIKeyNKJVDKFKDYMREK-NRFANRHFSA-N
MW361.49 g/mol
LogP3.49
Rot. Bonds2

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

1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10713623) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10713623
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2
InChIInChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m0/s1
InChIKeyNKJVDKFKDYMREK-NRFANRHFSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 10713623) is 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccccc31)CC2.
What is the InChIKey of 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is NKJVDKFKDYMREK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)/t21-/m0/s1.
What are the key properties of 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 361.49 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10713623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).