(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C22H32N4O3 — CID 9296594

IUPAC(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O
InChIInChI=1S/C22H32N4O3/c1-17-5-3-4-10-22(17)20(27)26(21(28)23-22)16-24(2)15-18-6-8-19(9-7-18)25-11-13-29-14-12-25/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,28)/t17-,22-/m1/s1
InChIKeyOUCDQSOYKRLJNP-VGOFRKELSA-N
MW400.52 g/mol
LogP2.41
Rot. Bonds5

About (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9296594) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9296594
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O
InChIInChI=1S/C22H32N4O3/c1-17-5-3-4-10-22(17)20(27)26(21(28)23-22)16-24(2)15-18-6-8-19(9-7-18)25-11-13-29-14-12-25/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,28)/t17-,22-/m1/s1
InChIKeyOUCDQSOYKRLJNP-VGOFRKELSA-N
XLogP2.41
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9296594) is (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@@]12NC(=O)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C2=O.
What is the InChIKey of (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OUCDQSOYKRLJNP-VGOFRKELSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17-5-3-4-10-22(17)20(27)26(21(28)23-22)16-24(2)15-18-6-8-19(9-7-18)25-11-13-29-14-12-25/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,28)/t17-,22-/m1/s1.
What are the key properties of (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 400.52 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-methyl-3-[[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9296594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).