(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

C15H20N3O2+ — CID 7071831

IUPAC(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1[C@H](c2ccccc2)[NH+](C)CC[C@]12NC(=O)NC2=O
InChIInChI=1S/C15H19N3O2/c1-10-12(11-6-4-3-5-7-11)18(2)9-8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/p+1/t10-,12-,15+/m1/s1
InChIKeyFQTIIVLASVNVSP-HCKVZZMMSA-O
MW274.34 g/mol
LogP-0.14
Rot. Bonds1

About (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione

(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione (PubChem CID 7071831) has the molecular formula C15H20N3O2+ and a molecular weight of 274.34 g/mol. Its IUPAC name is (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione
PubChem CID7071831
Molecular FormulaC15H20N3O2+
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1[C@H](c2ccccc2)[NH+](C)CC[C@]12NC(=O)NC2=O
InChIInChI=1S/C15H19N3O2/c1-10-12(11-6-4-3-5-7-11)18(2)9-8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/p+1/t10-,12-,15+/m1/s1
InChIKeyFQTIIVLASVNVSP-HCKVZZMMSA-O
XLogP-0.14
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol
CID 7071803
4-amino-1,3-dimethyl-2-phenylpiperidin-1-ium-4-carbonitrile
CID 4979098
N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide
CID 6935587
9-phenylmethoxy-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75244463
6,8,8-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 81320656
6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114499550
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 46939003
2-[(9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]benzaldehyde
CID 89143790
6-methoxy-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106872094
(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 176666943
(2S,3S,4R,6S)-4-(4-fluorophenyl)-1,3-dimethyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 6967268
6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207256

Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione (CID 7071831) is (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione is C[C@@H]1[C@H](c2ccccc2)[NH+](C)CC[C@]12NC(=O)NC2=O.
What is the InChIKey of (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione?
The InChIKey is FQTIIVLASVNVSP-HCKVZZMMSA-O. The full InChI is InChI=1S/C15H19N3O2/c1-10-12(11-6-4-3-5-7-11)18(2)9-8-15(10)13(19)16-14(20)17-15/h3-7,10,12H,8-9H2,1-2H3,(H2,16,17,19,20)/p+1/t10-,12-,15+/m1/s1.
What are the key properties of (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione?
(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione has a molecular weight of 274.34 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7071831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).