3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C21H28FN3O3 — CID 55565593

IUPAC3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H28FN3O3/c22-17-8-6-16(7-9-17)18-14-24(12-13-28-18)15-25-19(26)21(23-20(25)27)10-4-2-1-3-5-11-21/h6-9,18H,1-5,10-15H2,(H,23,27)
InChIKeyOUVIWWIIYXJVPC-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.19
Rot. Bonds3

About 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 55565593) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID55565593
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H28FN3O3/c22-17-8-6-16(7-9-17)18-14-24(12-13-28-18)15-25-19(26)21(23-20(25)27)10-4-2-1-3-5-11-21/h6-9,18H,1-5,10-15H2,(H,23,27)
InChIKeyOUVIWWIIYXJVPC-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42949673
3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 17454172
1-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]cyclohexan-1-ol
CID 111104469
2-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]isoindole-1,3-dione
CID 36737030
3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 51965035
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 35414438
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]ethyl]-1H-imidazol-2-one
CID 91843706
3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
CID 95158235
1-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 94677382
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 55565593) is 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1CN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is OUVIWWIIYXJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3/c22-17-8-6-16(7-9-17)18-14-24(12-13-28-18)15-25-19(26)21(23-20(25)27)10-4-2-1-3-5-11-21/h6-9,18H,1-5,10-15H2,(H,23,27).
What are the key properties of 3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 389.47 g/mol, XLogP of 3.19, 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]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 55565593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).