3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C20H26FN3O3 — CID 42949673

IUPAC3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN1CCOC(c3ccc(F)cc3)C1)C2=O
InChIInChI=1S/C20H26FN3O3/c1-14-6-8-20(9-7-14)18(25)24(19(26)22-20)13-23-10-11-27-17(12-23)15-2-4-16(21)5-3-15/h2-5,14,17H,6-13H2,1H3,(H,22,26)
InChIKeyDNZZDLLTTHWSEQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.66
Rot. Bonds3

About 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 42949673) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID42949673
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CN1CCOC(c3ccc(F)cc3)C1)C2=O
InChIInChI=1S/C20H26FN3O3/c1-14-6-8-20(9-7-14)18(25)24(19(26)22-20)13-23-10-11-27-17(12-23)15-2-4-16(21)5-3-15/h2-5,14,17H,6-13H2,1H3,(H,22,26)
InChIKeyDNZZDLLTTHWSEQ-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 42949673) is 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CN1CCOC(c3ccc(F)cc3)C1)C2=O.
What is the InChIKey of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DNZZDLLTTHWSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-14-6-8-20(9-7-14)18(25)24(19(26)22-20)13-23-10-11-27-17(12-23)15-2-4-16(21)5-3-15/h2-5,14,17H,6-13H2,1H3,(H,22,26).
What are the key properties of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 375.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42949673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).