(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione

C15H18N2O4 — CID 163203672

IUPAC(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione
SMILESCOc1cccc([C@H]2C(O)N(C)C(=O)[C@]23CCC(=O)N3)c1
InChIInChI=1S/C15H18N2O4/c1-17-13(19)12(9-4-3-5-10(8-9)21-2)15(14(17)20)7-6-11(18)16-15/h3-5,8,12-13,19H,6-7H2,1-2H3,(H,16,18)/t12-,13?,15-/m0/s1
InChIKeyOUBWQGNBRAGOMR-YOYPFHDYSA-N
MW290.32 g/mol
LogP0.22
Rot. Bonds2

About (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione

(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione (PubChem CID 163203672) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione.

Molecular Properties

Compound Name(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione
PubChem CID163203672
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione
SMILESCOc1cccc([C@H]2C(O)N(C)C(=O)[C@]23CCC(=O)N3)c1
InChIInChI=1S/C15H18N2O4/c1-17-13(19)12(9-4-3-5-10(8-9)21-2)15(14(17)20)7-6-11(18)16-15/h3-5,8,12-13,19H,6-7H2,1-2H3,(H,16,18)/t12-,13?,15-/m0/s1
InChIKeyOUBWQGNBRAGOMR-YOYPFHDYSA-N
XLogP0.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione with MolForge

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Related Compounds

(5S,9R)-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6,8-trione
CID 163203676
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
4-(3-methoxyphenyl)-3-methylpiperidine-2,6-dione
CID 79317793
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
CID 124560423
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione?
The IUPAC name of (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione (CID 163203672) is (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione.
What is the SMILES notation for (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione?
The canonical SMILES for (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione is COc1cccc([C@H]2C(O)N(C)C(=O)[C@]23CCC(=O)N3)c1.
What is the InChIKey of (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione?
The InChIKey is OUBWQGNBRAGOMR-YOYPFHDYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17-13(19)12(9-4-3-5-10(8-9)21-2)15(14(17)20)7-6-11(18)16-15/h3-5,8,12-13,19H,6-7H2,1-2H3,(H,16,18)/t12-,13?,15-/m0/s1.
What are the key properties of (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione?
(5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-8-hydroxy-9-(3-methoxyphenyl)-7-methyl-1,7-diazaspiro[4.4]nonane-2,6-dione is sourced from PubChem (CID 163203672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).