1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione

C23H26N2O2 — CID 97453749

IUPAC1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
SMILESCN1C[C@@H](c2ccccc2)CC12CCN(C(=O)C(=O)c1ccccc1)CC2
InChIInChI=1S/C23H26N2O2/c1-24-17-20(18-8-4-2-5-9-18)16-23(24)12-14-25(15-13-23)22(27)21(26)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3/t20-/m0/s1
InChIKeyUTWLPDOBMBMNRY-FQEVSTJZSA-N
MW362.47 g/mol
LogP3.35
Rot. Bonds3

About 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione

1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione (PubChem CID 97453749) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
PubChem CID97453749
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
SMILESCN1C[C@@H](c2ccccc2)CC12CCN(C(=O)C(=O)c1ccccc1)CC2
InChIInChI=1S/C23H26N2O2/c1-24-17-20(18-8-4-2-5-9-18)16-23(24)12-14-25(15-13-23)22(27)21(26)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3/t20-/m0/s1
InChIKeyUTWLPDOBMBMNRY-FQEVSTJZSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137
(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 72843342
methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
CID 97278100
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
1-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 72913279

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione (CID 97453749) is 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione is CN1C[C@@H](c2ccccc2)CC12CCN(C(=O)C(=O)c1ccccc1)CC2.
What is the InChIKey of 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione?
The InChIKey is UTWLPDOBMBMNRY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-24-17-20(18-8-4-2-5-9-18)16-23(24)12-14-25(15-13-23)22(27)21(26)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione?
1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione has a molecular weight of 362.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 97453749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).