(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C24H28FN3O2 — CID 124838172

IUPAC(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CN(C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O
InChIInChI=1S/C24H28FN3O2/c1-17-8-6-7-15-24(17)22(29)28(23(30)26-24)16-27(2)21(18-9-4-3-5-10-18)19-11-13-20(25)14-12-19/h3-5,9-14,17,21H,6-8,15-16H2,1-2H3,(H,26,30)/t17-,21-,24+/m1/s1
InChIKeyCFRJNZQOSDTPQO-JKHABCDFSA-N
MW409.51 g/mol
LogP4.31
Rot. Bonds5

About (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 124838172) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID124838172
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CCCC[C@]12NC(=O)N(CN(C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O
InChIInChI=1S/C24H28FN3O2/c1-17-8-6-7-15-24(17)22(29)28(23(30)26-24)16-27(2)21(18-9-4-3-5-10-18)19-11-13-20(25)14-12-19/h3-5,9-14,17,21H,6-8,15-16H2,1-2H3,(H,26,30)/t17-,21-,24+/m1/s1
InChIKeyCFRJNZQOSDTPQO-JKHABCDFSA-N
XLogP4.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[benzhydryl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18149953
3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26005418
3-[[cyclohexyl(methyl)amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441994
3-[[(2-chlorophenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17423916
(5S,6R)-3-[[(2-chlorophenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31910628
3-[[[4-(dimethylamino)phenyl]methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17447752
(5R,6R)-3-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94385228
3-[[benzhydryl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 42937052
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7715612
(5R,6S)-3-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30014671
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 124838172) is (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CCCC[C@]12NC(=O)N(CN(C)[C@H](c1ccccc1)c1ccc(F)cc1)C2=O.
What is the InChIKey of (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CFRJNZQOSDTPQO-JKHABCDFSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17-8-6-7-15-24(17)22(29)28(23(30)26-24)16-27(2)21(18-9-4-3-5-10-18)19-11-13-20(25)14-12-19/h3-5,9-14,17,21H,6-8,15-16H2,1-2H3,(H,26,30)/t17-,21-,24+/m1/s1.
What are the key properties of (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 409.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 124838172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).