(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one

C21H25N3O — CID 7327809

IUPAC(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)[C@]12CCCN(CCc1ccccc1)C2
InChIInChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-10-5-2-6-11-19)13-7-14-23(16-21)15-12-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H,22,25)/t21-/m0/s1
InChIKeyJXDTXVMMITZPOQ-NRFANRHFSA-N
MW335.45 g/mol
LogP2.66
Rot. Bonds4

About (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one

(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one (PubChem CID 7327809) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
PubChem CID7327809
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)[C@]12CCCN(CCc1ccccc1)C2
InChIInChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-10-5-2-6-11-19)13-7-14-23(16-21)15-12-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H,22,25)/t21-/m0/s1
InChIKeyJXDTXVMMITZPOQ-NRFANRHFSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 53470301
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750
3-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 3688277
1-(2-methoxyphenyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 70968701
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
4-phenyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 155872026

Frequently Asked Questions

What is the IUPAC name of (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one?
The IUPAC name of (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one (CID 7327809) is (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one?
The canonical SMILES for (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)[C@]12CCCN(CCc1ccccc1)C2.
What is the InChIKey of (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one?
The InChIKey is JXDTXVMMITZPOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-10-5-2-6-11-19)13-7-14-23(16-21)15-12-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H,22,25)/t21-/m0/s1.
What are the key properties of (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one?
(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one has a molecular weight of 335.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 7327809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).