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

C20H25FN4O4 — CID 16809379

IUPAC3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N1CCOCC1
InChIInChI=1S/C20H25FN4O4/c21-16-3-1-15(2-4-16)13-25-18(27)20(22-19(25)28)5-7-23(8-6-20)14-17(26)24-9-11-29-12-10-24/h1-4H,5-14H2,(H,22,28)
InChIKeyFAUMWVDFIJQWFB-UHFFFAOYSA-N
MW404.44 g/mol
LogP0.57
Rot. Bonds4

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

3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 16809379) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID16809379
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N1CCOCC1
InChIInChI=1S/C20H25FN4O4/c21-16-3-1-15(2-4-16)13-25-18(27)20(22-19(25)28)5-7-23(8-6-20)14-17(26)24-9-11-29-12-10-24/h1-4H,5-14H2,(H,22,28)
InChIKeyFAUMWVDFIJQWFB-UHFFFAOYSA-N
XLogP0.57
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 16809379) is 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N1CCOCC1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FAUMWVDFIJQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4/c21-16-3-1-15(2-4-16)13-25-18(27)20(22-19(25)28)5-7-23(8-6-20)14-17(26)24-9-11-29-12-10-24/h1-4H,5-14H2,(H,22,28).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 404.44 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-(2-morpholin-4-yl-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 16809379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).