(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C17H22N2O2 — CID 131652109

IUPAC(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCC[C@]12CN(C1CCOC1)C[C@H]2c1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16-17(7-8-18-16)12-19(14-6-9-21-11-14)10-15(17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,20)/t14?,15-,17+/m0/s1
InChIKeyQTUYVLIFLQQWCB-IGGKNEPZSA-N
MW286.37 g/mol
LogP1.38
Rot. Bonds2

About (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131652109) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131652109
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCC[C@]12CN(C1CCOC1)C[C@H]2c1ccccc1
InChIInChI=1S/C17H22N2O2/c20-16-17(7-8-18-16)12-19(14-6-9-21-11-14)10-15(17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,20)/t14?,15-,17+/m0/s1
InChIKeyQTUYVLIFLQQWCB-IGGKNEPZSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,9S)-2-methyl-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 134690512
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97392354
(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97392356
(5S,9S)-7-(5-ethylpyrimidin-2-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471851
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931
(5S,9S)-9-phenyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 127023256
(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 98778255
[4-(oxolan-3-yl)piperazin-1-yl]-(3-phenylpiperidin-2-yl)methanone
CID 136573857
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
4-(oxolan-3-yl)-1-phenylpiperazin-2-one
CID 131900443

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 131652109) is (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is O=C1NCC[C@]12CN(C1CCOC1)C[C@H]2c1ccccc1.
What is the InChIKey of (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is QTUYVLIFLQQWCB-IGGKNEPZSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-17(7-8-18-16)12-19(14-6-9-21-11-14)10-15(17)13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,20)/t14?,15-,17+/m0/s1.
What are the key properties of (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 286.37 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-(oxolan-3-yl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131652109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).